3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan
TL;DR: 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan (CAS 3769-03-7) is a chemical compound with molecular formula C17H22ClNO and molecular weight 291.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-chloroprop-2-enyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Also Known As: Win 29M, N-3-Chloroallylnormetazocine, WIN-20548 (cis), alpha-(-)-N-cis-3-Chloroallyl-normetazocine, 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan
| Molecular Formula | C17H22ClNO |
|---|---|
| Molecular Weight | 291.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.13898 |
| Heavy Atoms | 20 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 3769-03-7 |
|---|---|
| SMILES | CC1C2CC3=C(C1(CCN2CC(=C)Cl)C)C=C(C=C3)O |
| InChIKey | OSOLCRQDNFERCB-UHFFFAOYSA-N |
Product Overview
3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan (CAS 3769-03-7), with molecular formula C17H22ClNO and molecular weight 291.14 g/mol. IUPAC: 10-(2-chloroprop-2-enyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
Chemical Property Profile of 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan
Property Insights of 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan. With a topological polar surface area (TPSA) of 23.5 Ų, 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan has 1 hydrogen bond donor(s) and 2 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 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan?
The CAS number of 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan is 3769-03-7.
What is the molecular formula of 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan?
The molecular formula of 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan is C17H22ClNO.
What is the molecular weight of 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan?
The molecular weight of 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan is 291.14 g/mol.
Where can I buy 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan?
You can request a quote for 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorallyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.