RefChem:1066629
TL;DR: RefChem:1066629 (CAS 3639-68-7) is a chemical compound with molecular formula C18H23Cl2NO and molecular weight 339.12 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-ethyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Also Known As: 2(N)-(3,3-Dichloro-2-propenyl)-5-ethyl-2'-hydroxy-9-methyl-6,7-benzomorphan, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3-(3,3-dichloro-2-propenyl)-6-ethyl-11-methyl-, 5,9-Dimethyl-2-(3,3-dichlor-allyl)-2'-hydroxy-6,7-benzomorphan, 3-(3,3-dichloroprop-2-en-1-yl)-6-ethyl-11-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol, 10-(3,3-dichloroprop-2-en-1-yl)-1-ethyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol
| Molecular Formula | C18H23Cl2NO |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.11566 |
| Heavy Atoms | 22 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 3639-68-7 |
|---|---|
| SMILES | CCC12CCN(C(C1C)CC3=C2C=C(C=C3)O)CC=C(Cl)Cl |
| InChIKey | DMPMGRFOHYHBNE-UHFFFAOYSA-N |
Product Overview
RefChem:1066629 (CAS 3639-68-7), with molecular formula C18H23Cl2NO and molecular weight 339.12 g/mol. IUPAC: 10-(3,3-dichloroprop-2-enyl)-1-ethyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
Chemical Property Profile of RefChem:1066629
Property Insights of RefChem:1066629
The XLogP value of 4.1 indicates that RefChem:1066629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, RefChem:1066629 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066629 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 RefChem:1066629?
The CAS number of RefChem:1066629 is 3639-68-7.
What is the molecular formula of RefChem:1066629?
The molecular formula of RefChem:1066629 is C18H23Cl2NO.
What is the molecular weight of RefChem:1066629?
The molecular weight of RefChem:1066629 is 339.12 g/mol.
Where can I buy RefChem:1066629?
You can request a quote for RefChem:1066629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066629?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.