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Screening compounds

Orb1738880

CAS 1456542-69-0Formula C32H38N4O7Molar mass 590.68 g/mol
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Orb1738880 chemical structure, C32H38N4O7, CAS 1456542-69-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1456542-69-0
Formula
C32H38N4O7
Molar mass
590.68 g/mol
HS code
293499
Category
Screening compounds

What is Orb1738880?

Plain description, key identifiers and synonyms

1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea is a member of ureas.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
CAS number
1456542-69-0
Molecular formula
C32H38N4O7
InChIKey
NGRSXEMLDRQNMH-LPBFERMMSA-N
InChI
InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21-,30-/m0/s1
SMILES
C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO

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
590.68 g/molcalc.
Exact mass
590.2741 Dacalc.
LogP (octanol/water)
4.42calc.
Topological polar surface area
121.8 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
9calc.
Heavy atoms
43calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (1 violation)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)Nc1ccc2c(c1)C(=O)NCCC(CNCc1ccc3c(c1)OCO3)O2

O=C(Nc1ccccc1)Nc1ccc2c(c1)C(=O)NCCC(CNCc1ccc3c(c1)OCO3)O2

5 rings, 35 atoms.

No other chemical in our database has 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.

Orb1738880 suppliers

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Orb1738880 price

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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 Orb1738880 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb1738880 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1738880, based on the data on this page

What is Orb1738880?

1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea is a member of ureas.

What is the CAS number of Orb1738880?

The CAS registry number of Orb1738880 is 1456542-69-0.

What is the molecular formula and weight of Orb1738880?

The molecular formula of Orb1738880 is C32H38N4O7 and its molar mass is 590.68 g/mol.

What is Orb1738880 used for?

Known uses and roles of Orb1738880 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1738880 hazardous?

No GHS hazard classification for Orb1738880 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 Orb1738880?

Orb1738880 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1738880?

Post a free request on CompoundList and suppliers of Orb1738880 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1738880?

Suppliers quote Orb1738880 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

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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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