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Heterocyclic building blocks

Orb1306392

Also known as C34H46ClN3O10

CAS 3085544-88-0Formula C34H46ClN3O10Molar mass 692.21 g/mol
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Orb1306392 chemical structure, C34H46ClN3O10, CAS 3085544-88-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3085544-88-0
Formula
C34H46ClN3O10
Molar mass
692.21 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Orb1306392?

Plain description, key identifiers and synonyms

Orb1306392 is a chemical substance with the molecular formula C34H46ClN3O10 and a molar mass of 692.21 g/mol. Its CAS registry number is 3085544-88-0. The IUPAC name is [(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate
CAS number
3085544-88-0Other or deprecated CAS: 35846-53-8
Molecular formula
C34H46ClN3O10
MDL number
MFCD28127038
InChIKey
WKPWGQKGSOKKOO-LOWKUAJRSA-N
InChI
InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10-,18-11-/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1
Canonical SMILES
COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(C)=O)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)C=CC=C(C)C2
Isomeric SMILES
C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C\C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)C)C)\C)OC)(NC(=O)O2)O

Synonyms

  • C34H46ClN3O10

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
692.21 g/molcalc.
Exact mass
691.2872 Dacalc.
LogP (octanol/water)
3.53calc.
Topological polar surface area
156.5 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
5calc.
Heavy atoms
48calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
8calc.
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=C1CCC2OC2CC2CC(CC=CC=CCc3cccc(c3)N1)NC(=O)O2

O=C1CCC2OC2CC2CC(CC=CC=CCc3cccc(c3)N1)NC(=O)O2

4 rings, 28 atoms.

118 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.

Orb1306392 suppliers

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Orb1306392 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 Orb1306392 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 Orb1306392 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1306392, based on the data on this page

What is Orb1306392?

Orb1306392 is a chemical substance with the molecular formula C34H46ClN3O10 and a molar mass of 692.21 g/mol. Its CAS registry number is 3085544-88-0.

What is the CAS number of Orb1306392?

The CAS registry number of Orb1306392 is 3085544-88-0. Other or deprecated CAS numbers: 35846-53-8.

What is the molecular formula and weight of Orb1306392?

The molecular formula of Orb1306392 is C34H46ClN3O10 and its molar mass is 692.21 g/mol.

What is Orb1306392 used for?

Known uses and roles of Orb1306392 include building blocks in research and laboratory.

Is Orb1306392 hazardous?

No GHS hazard classification for Orb1306392 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 Orb1306392?

Orb1306392 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 Orb1306392?

Post a free request on CompoundList and suppliers of Orb1306392 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1306392?

Suppliers quote Orb1306392 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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