RefChem:1083329
TL;DR: RefChem:1083329 (CAS 68263-37-6) is a chemical compound with molecular formula C20H24ClNS and molecular weight 345.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[(3Z)-3-(4-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium chloride
Also Known As: Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N,4-trimethyl-, hydrochloride, N,N,4-Trimethyldibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine hydrochloride, dimethyl-[(3Z)-3-(4-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium chloride, RefChem:1083329
| Molecular Formula | C20H24ClNS |
|---|---|
| Molecular Weight | 345.13 g/mol |
| LogP | 0.57102 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1318 |
| Heavy Atoms | 23 |
| Complexity | 706.5379 |
Chemical Identifiers
| CAS Number | 68263-37-6 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)/C(=C\CC[NH+](C)C)/C3=CC=CC=C3CS2.[Cl-] |
Product Overview
RefChem:1083329 (CAS 68263-37-6), with molecular formula C20H24ClNS and molecular weight 345.13 g/mol. IUPAC: dimethyl-[(3Z)-3-(4-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium chloride.
Chemical Property Profile of RefChem:1083329
Property Insights of RefChem:1083329
The XLogP value of 0.57102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083329. With a topological polar surface area (TPSA) of 4.44 Ų, RefChem:1083329 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1083329 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:1083329?
The CAS number of RefChem:1083329 is 68263-37-6.
What is the molecular formula of RefChem:1083329?
The molecular formula of RefChem:1083329 is C20H24ClNS.
What is the molecular weight of RefChem:1083329?
The molecular weight of RefChem:1083329 is 345.13 g/mol.
Where can I buy RefChem:1083329?
You can request a quote for RefChem:1083329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083329?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.