RefChem:1083326
TL;DR: RefChem:1083326 (CAS 68263-35-4) is a chemical compound with molecular formula C23H30ClNS and molecular weight 387.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3Z)-3-(2-butyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride
Also Known As: Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 2-butyl-N,N-dimethyl-, hydrochloride, 2-Butyl-N,N-dimethyldibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine hydrochloride, [(3Z)-3-(2-butyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride, RefChem:1083326
| Molecular Formula | C23H30ClNS |
|---|---|
| Molecular Weight | 387.18 g/mol |
| LogP | 1.6052 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.17874 |
| Heavy Atoms | 26 |
| Complexity | 751.6231 |
Chemical Identifiers
| CAS Number | 68263-35-4 |
|---|---|
| SMILES | CCCCC1=CC\2=C(C=C1)SCC3=CC=CC=C3/C2=C/CC[NH+](C)C.[Cl-] |
Product Overview
RefChem:1083326 (CAS 68263-35-4), with molecular formula C23H30ClNS and molecular weight 387.18 g/mol. IUPAC: [(3Z)-3-(2-butyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:1083326
Property Insights of RefChem:1083326
The XLogP value of 1.6052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083326. With a topological polar surface area (TPSA) of 4.44 Ų, RefChem:1083326 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1083326 has 1 hydrogen bond donor(s) and 1 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:1083326?
The CAS number of RefChem:1083326 is 68263-35-4.
What is the molecular formula of RefChem:1083326?
The molecular formula of RefChem:1083326 is C23H30ClNS.
What is the molecular weight of RefChem:1083326?
The molecular weight of RefChem:1083326 is 387.18 g/mol.
Where can I buy RefChem:1083326?
You can request a quote for RefChem:1083326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083326?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.