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Screening compounds

YY6Dar2mae

Also known as 15,16-Dehydrobuprenorphine

CAS 61577-04-6Formula C29H39NO4Molar mass 465.63 g/mol
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YY6Dar2mae chemical structure, C29H39NO4, CAS 61577-04-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
61577-04-6
Formula
C29H39NO4
Molar mass
465.63 g/mol
HS code
293499
Category
Screening compounds

What is YY6Dar2mae?

Plain description, key identifiers and synonyms

YY6Dar2mae is a chemical substance with the molecular formula C29H39NO4 and a molar mass of 465.63 g/mol. Its CAS registry number is 61577-04-6. The IUPAC name is (1S,2S,6R,14R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-3,8(20),9,11-tetraen-11-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2S,6R,14R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-3,8(20),9,11-tetraen-11-ol
CAS number
61577-04-6
Molecular formula
C29H39NO4
UNII
YY6DAR2MAE
InChIKey
IZSLIBHUFACYPA-MLLHIGKASA-N
InChI
InChI=1S/C29H39NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,12-13,17,20-21,24,31-32H,6-7,10-11,14-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29?/m1/s1
Canonical SMILES
COC12CCC3(CC1C(C)(O)C(C)(C)C)C1Cc4ccc(O)c5c4C3(C=CN1CC1CC1)C2O5
Isomeric SMILES
C[C@]([C@H]1C[C@@]23CCC1([C@H]4[C@@]25C=CN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O

Synonyms

  • 15,16-Dehydrobuprenorphine

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
465.63 g/molcalc.
Exact mass
465.2879 Dacalc.
LogP (octanol/water)
4.54calc.
Topological polar surface area
62.16 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
34calc.
Rings
8calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.72calc.
Formal charge
0calc.
Stereocentres
7calc.
Lipinski rule of five
Passes (0 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, C1=CC23c4c5cccc4OC2C2CCC3(CC2)C(C5)N1CC1CC1

C1=CC23c4c5cccc4OC2C2CCC3(CC2)C(C5)N1CC1CC1

8 rings, 24 atoms.

1 other chemical 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.

YY6Dar2mae suppliers

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YY6Dar2mae 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 YY6Dar2mae 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 YY6Dar2mae is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about YY6Dar2mae, based on the data on this page

What is YY6Dar2mae?

YY6Dar2mae is a chemical substance with the molecular formula C29H39NO4 and a molar mass of 465.63 g/mol. Its CAS registry number is 61577-04-6.

What is the CAS number of YY6Dar2mae?

The CAS registry number of YY6Dar2mae is 61577-04-6.

What is the molecular formula and weight of YY6Dar2mae?

The molecular formula of YY6Dar2mae is C29H39NO4 and its molar mass is 465.63 g/mol.

What is YY6Dar2mae used for?

Known uses and roles of YY6Dar2mae include building blocks in research and laboratory and screening compounds in research and laboratory.

Is YY6Dar2mae hazardous?

No GHS hazard classification for YY6Dar2mae 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 YY6Dar2mae?

YY6Dar2mae 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 YY6Dar2mae?

Post a free request on CompoundList and suppliers of YY6Dar2mae will send you quotes. Your contact details stay private until you accept a quote.

What is the price of YY6Dar2mae?

Suppliers quote YY6Dar2mae 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 YY6Dar2mae

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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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