BUPRENORPHINE B-D-GLUCURONIDE
TL;DR: BUPRENORPHINE B-D-GLUCURONIDE (CAS 101224-22-0) is a chemical compound with molecular formula C35H49NO10 and molecular weight 643.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[[(1S,2S,6R,14R,15R,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-8(20),9,11-trien-10-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: BUPRENORPHINE B-D-GLUCURONIDE, 17-(Cyclopropylmethyl)-7-(2-hydroxy-3,3-dimethylbutan-2-yl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-2-yl hexopyranosiduronic acid, 17-(Cyclopropylmethyl)-7-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-5alpha,7alpha-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-2-yl beta-D-glucopyranosiduronic acid
| Molecular Formula | C35H49NO10 |
|---|---|
| Molecular Weight | 643.34 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 643.33563 |
| Heavy Atoms | 46 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 101224-22-0 |
|---|---|
| SMILES | C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=CC(=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)O4)CC8CC8)OC)(C(C)(C)C)O |
| InChIKey | KOTUOCWBKOXDKA-KMMOLZCDSA-N |
Product Overview
BUPRENORPHINE B-D-GLUCURONIDE (CAS 101224-22-0), with molecular formula C35H49NO10 and molecular weight 643.34 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[[(1S,2S,6R,14R,15R,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-8(20),9,11-trien-10-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of BUPRENORPHINE B-D-GLUCURONIDE
Property Insights of BUPRENORPHINE B-D-GLUCURONIDE
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BUPRENORPHINE B-D-GLUCURONIDE. The TPSA of 158.0 Ų indicates high polarity, suggesting BUPRENORPHINE B-D-GLUCURONIDE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BUPRENORPHINE B-D-GLUCURONIDE has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BUPRENORPHINE B-D-GLUCURONIDE?
The CAS number of BUPRENORPHINE B-D-GLUCURONIDE is 101224-22-0.
What is the molecular formula of BUPRENORPHINE B-D-GLUCURONIDE?
The molecular formula of BUPRENORPHINE B-D-GLUCURONIDE is C35H49NO10.
What is the molecular weight of BUPRENORPHINE B-D-GLUCURONIDE?
The molecular weight of BUPRENORPHINE B-D-GLUCURONIDE is 643.34 g/mol.
Where can I buy BUPRENORPHINE B-D-GLUCURONIDE?
You can request a quote for BUPRENORPHINE B-D-GLUCURONIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BUPRENORPHINE B-D-GLUCURONIDE?
Yes, KEHONG BIO provides custom synthesis services for BUPRENORPHINE B-D-GLUCURONIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.