Buprenorphine 3-hexanoate
TL;DR: Buprenorphine 3-hexanoate (CAS 171018-32-9) is a chemical compound with molecular formula C35H51NO5 and molecular weight 565.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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-11-yl] hexanoate
Also Known As: Buprenorphine 3-hexanoate, Buprenorphine Caproate, buprenorphine caproate [INN], 6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-6-methoxy-alpha-methyl-3-((1-oxohexyl)oxy)-, (5alpha,7alpha(S))-, 6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-6-methoxy-alpha-methyl-3-[(1-oxohexyl)oxy]-, [5alpha,7alpha(S)]-
| Molecular Formula | C35H51NO5 |
|---|---|
| Molecular Weight | 565.38 g/mol |
| LogP | 6.1939 |
| Topological Polar Surface Area | 68.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 565.3767 |
| Heavy Atoms | 41 |
| Complexity | 1231.6528 |
Chemical Identifiers
| CAS Number | 171018-32-9 |
|---|---|
| SMILES | CCCCCC(=O)OC1=C2C3=C(C[C@@H]4[C@@]56[C@]3(CCN4CC7CC7)[C@@H](O2)[C@@](CC5)([C@H](C6)[C@@](C)(C(C)(C)C)O)OC)C=C1 |
Product Overview
Buprenorphine 3-hexanoate (CAS 171018-32-9), with molecular formula C35H51NO5 and molecular weight 565.38 g/mol. IUPAC: [(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-11-yl] hexanoate.
Chemical Property Profile of Buprenorphine 3-hexanoate
Property Insights of Buprenorphine 3-hexanoate
The XLogP value of 6.1939 indicates that Buprenorphine 3-hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Buprenorphine 3-hexanoate. Following Lipinski's Rule of Five, Buprenorphine 3-hexanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Buprenorphine 3-hexanoate?
The CAS number of Buprenorphine 3-hexanoate is 171018-32-9.
What is the molecular formula of Buprenorphine 3-hexanoate?
The molecular formula of Buprenorphine 3-hexanoate is C35H51NO5.
What is the molecular weight of Buprenorphine 3-hexanoate?
The molecular weight of Buprenorphine 3-hexanoate is 565.38 g/mol.
Where can I buy Buprenorphine 3-hexanoate?
You can request a quote for Buprenorphine 3-hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buprenorphine 3-hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Buprenorphine 3-hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.