丁丙诺啡
TL;DR: 丁丙诺啡 (CAS 136781-89-0) is a chemical compound with molecular formula C29H41NO4 and molecular weight 467.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁丙诺啡
5-(cyclopropylmethyl)-16-(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-ol
Also Known As: buprenorphine, Temgesic, DEA No. 9064, Buprenorphine-d4 (cyclopropyl-2,2,3,3-d4) hydrochloride, 17-(cyclopropylmethyl)-18-(2-hydroxy-3,3-dimethylbutan-2-yl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
| Molecular Formula | C29H41NO4 |
|---|---|
| Molecular Weight | 467.30 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.30356 |
| Heavy Atoms | 34 |
| Complexity | 869.0 |
Chemical Identifiers
| CAS Number | 136781-89-0 |
|---|---|
| SMILES | CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O |
| InChIKey | RMRJXGBAOAMLHD-UHFFFAOYSA-N |
Product Overview
丁丙诺啡 (CAS 136781-89-0), with molecular formula C29H41NO4 and molecular weight 467.30 g/mol. IUPAC: 5-(cyclopropylmethyl)-16-(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-ol.
Chemical Property Profile of 丁丙诺啡
Property Insights of 丁丙诺啡
The XLogP value of 5.0 indicates that 丁丙诺啡 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁丙诺啡. Following Lipinski's Rule of Five, 丁丙诺啡 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 丁丙诺啡?
The CAS number of 丁丙诺啡 is 136781-89-0.
What is the molecular formula of 丁丙诺啡?
The molecular formula of 丁丙诺啡 is C29H41NO4.
What is the molecular weight of 丁丙诺啡?
The molecular weight of 丁丙诺啡 is 467.30 g/mol.
Where can I buy 丁丙诺啡?
You can request a quote for 丁丙诺啡 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁丙诺啡?
Yes, KEHONG BIO provides custom synthesis services for 丁丙诺啡 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.