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Aromatic building blocks

LR-90

Also known as 2,2'-(4,4'-(4,4'-methylenebis(2-chloro-4,1-phenylene))bis(azanediyl)bis(oxomethylene)bis(azanediyl)bis(4,1-phenylene))bis(oxy)bis(2-Methylpropanoic acid), lR90, LR-90?

CAS 245075-84-7Formula C35H34Cl2N4O8Molar mass 709.58 g/mol
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LR-90 chemical structure, C35H34Cl2N4O8, CAS 245075-84-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
245075-84-7
Formula
C35H34Cl2N4O8
Molar mass
709.58 g/mol
HS code
292421
Category
Aromatic building blocks

What is LR-90?

Plain description, key identifiers and synonyms

LR-90 is a chemical substance with the molecular formula C35H34Cl2N4O8 and a molar mass of 709.58 g/mol. Its CAS registry number is 245075-84-7. The IUPAC name is 2-[4-[[4-[[4-[[4-(2-carboxypropan-2-yloxy)phenyl]carbamoylamino]-3-chlorophenyl]methyl]-2-chlorophenyl]carbamoylamino]phenoxy]-2-methylpropanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[4-[[4-[[4-[[4-(2-carboxypropan-2-yloxy)phenyl]carbamoylamino]-3-chlorophenyl]methyl]-2-chlorophenyl]carbamoylamino]phenoxy]-2-methylpropanoic acid
CAS number
245075-84-7
Molecular formula
C35H34Cl2N4O8
UNII
PJ8V885848
MDL number
MFCD26142431
InChIKey
WJDMCXSGUCNRPZ-UHFFFAOYSA-N
InChI
InChI=1S/C35H34Cl2N4O8/c1-34(2,30(42)43)48-24-11-7-22(8-12-24)38-32(46)40-28-15-5-20(18-26(28)36)17-21-6-16-29(27(37)19-21)41-33(47)39-23-9-13-25(14-10-23)49-35(3,4)31(44)45/h5-16,18-19H,17H2,1-4H3,(H,42,43)(H,44,45)(H2,38,40,46)(H2,39,41,47)
SMILES (canonical and isomeric)
CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC(C)(C)C(=O)O)Cl)Cl

Synonyms

  • 2,2'-(4,4'-(4,4'-methylenebis(2-chloro-4,1-phenylene))bis(azanediyl)bis(oxomethylene)bis(azanediyl)bis(4,1-phenylene))bis(oxy)bis(2-Methylpropanoic acid)
  • lR90
  • LR-90?
  • 2,2'-((((((methylenebis(2-chloro-4,1-phenylene))bis(azanediyl))bis(carbonyl))bis(azanediyl))bis(4,1-phenylene))bis(oxy))bis(2-methylpropanoic acid)
  • 2,2'-(Methylenebis((2-chloro-4,1-phenylene)iminocarbonylimino-4,1-phenyleneoxy))bis(2-methylpropanoic acid)
  • 2,2-[Methylenebis[(2-chloro-4,1-phenylene)iminocarbonylimino-4,1-phenyleneoxy]]bis[2-methylpropanoic acid]
  • 2-[4-[[4-[[4-[[4-(2-Carboxypropan-2-yloxy)phenyl]carbamoylamino]-3-chlorophenyl]methyl]-2-chlorophenyl]carbamoylamino]phenoxy]-2-methylpropanoic acid
  • Propanoic acid, 2,2'-(methylenebis((2-chloro-4,1-phenylene)iminocarbonylimino-4,1-phenyleneoxy))bis(2-methyl-
  • C35H34Cl2N4O8
  • 2,2-[Methylenebis[(2-chloro-4,1-phenylene)iminocarbonylimino-4,1-phenyleneoxy]]bis[2-methylpropanoicacid]
  • 2-[4-[[4-[[4-[[4-(1-carboxy-1-methyl-ethoxy)phenyl]carbamoylamino]-3-chloro-phenyl]methyl]-2-chloro-phenyl]carbamoylamino]phenoxy]-2-methyl-propanoic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
709.58 g/molcalc.
Exact mass
708.1754 Dacalc.
LogP (octanol/water)
8.36calc.
Topological polar surface area
175.3 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
12calc.
Heavy atoms
49calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.2calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Nc1ccccc1)Nc1ccc(Cc2ccc(NC(=O)Nc3ccccc3)cc2)cc1

O=C(Nc1ccccc1)Nc1ccc(Cc2ccc(NC(=O)Nc3ccccc3)cc2)cc1

4 rings, 33 atoms, the Urea, N,N''-(methylenedi-4,1-phenylene)bis[N'-phenyl- ring system.

8 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

LR-90 suppliers

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LR-90 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code LR-90 is traded under.

HS 2924.21Indicative HS code

Ureines and their derivatives, salts thereof

World exports in 2024
$149M
+12.5% vs 2023, imports $208M
2019 to 2024
Top exporters
  1. Germany25.4%
  2. China14.4%
  3. Israel12.0%
Top importers
  1. Brazil28.2%
  2. United States14.0%
  3. Japan10.0%
Reported customs values in USD, not prices.Full trade data

The HS code shown for LR-90 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about LR-90, based on the data on this page

What is LR-90?

LR-90 is a chemical substance with the molecular formula C35H34Cl2N4O8 and a molar mass of 709.58 g/mol. Its CAS registry number is 245075-84-7. The IUPAC name is 2-[4-[[4-[[4-[[4-(2-carboxypropan-2-yloxy)phenyl]carbamoylamino]-3-chlorophenyl]methyl]-2-chlorophenyl]carbamoylamino]phenoxy]-2-methylpropanoic acid.

What is the CAS number of LR-90?

The CAS registry number of LR-90 is 245075-84-7.

What is the molecular formula and weight of LR-90?

The molecular formula of LR-90 is C35H34Cl2N4O8 and its molar mass is 709.58 g/mol.

What is LR-90 used for?

Known uses and roles of LR-90 include building blocks in research and laboratory.

Is LR-90 hazardous?

No GHS hazard classification for LR-90 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of LR-90?

LR-90 is usually classified under HS code 292421 (Ureines and their derivatives, salts thereof). This is indicative, confirm it with your customs broker before shipping.

Where can I buy LR-90?

Post a free request on CompoundList and suppliers of LR-90 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of LR-90?

Suppliers quote LR-90 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle LR-90

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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