Win 21021
TL;DR: Win 21021 (CAS 3639-67-6) is a chemical compound with molecular formula C17H21Cl2NO and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3,3-dichloroprop-2-enyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Also Known As: WIN 21021, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3-(3,3-dichloro-2-propenyl)-6,11-dimethyl, 2-(3,3-Dichlor-allyl)-5,9-dimethyl-2'-hydroxy-6,7-benzomorphan, 5,9-Dimethyl-2-(3,3-dichlor-allyl)-2'-hydroxy-6,7-benzomorphan, 3- -1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
| Molecular Formula | C17H21Cl2NO |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.1 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 3639-67-6 |
|---|---|
| SMILES | CC1C2CC3=C(C1(CCN2CC=C(Cl)Cl)C)C=C(C=C3)O |
| InChIKey | OVHMDCNCGNYQQT-UHFFFAOYSA-N |
Product Overview
Win 21021 (CAS 3639-67-6), with molecular formula C17H21Cl2NO and molecular weight 325.10 g/mol. IUPAC: 10-(3,3-dichloroprop-2-enyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
Chemical Property Profile of Win 21021
Property Insights of Win 21021
The XLogP value of 3.6 indicates that Win 21021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Win 21021 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Win 21021 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 Win 21021?
The CAS number of Win 21021 is 3639-67-6.
What is the molecular formula of Win 21021?
The molecular formula of Win 21021 is C17H21Cl2NO.
What is the molecular weight of Win 21021?
The molecular weight of Win 21021 is 325.10 g/mol.
Where can I buy Win 21021?
You can request a quote for Win 21021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Win 21021?
Yes, KEHONG BIO provides custom synthesis services for Win 21021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.