RefChem:337162
TL;DR: RefChem:337162 (CAS 62674-85-5) is a chemical compound with molecular formula C20H23Cl2NOS and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)-2-methylpropyl]-dimethylazanium chloride
Also Known As: C20H22ClNOS.ClH.1/2H2O, C20-H22-Cl-N-O-S.Cl-H.1/2H2-O, Dibenzo(b,f)thiepin-10(11H)-one, 8-chloro-11-(3-(dimethylamino)-2-methylpropyl)-, hydrochloride, hydrate (2:2:1), 8-Chloro-11-(3-(dimethylamino)-2-methylpropyl)dibenzo(b,f)thiepin-10(11H)-one HCl H2O (2:2:1), [3-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)-2-methylpropyl]-dimethylazanium chloride
| Molecular Formula | C20H23Cl2NOS |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 0.95 |
| Topological Polar Surface Area | 46.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.08774 |
| Heavy Atoms | 25 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 62674-85-5 |
|---|---|
| SMILES | CC(CC1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)Cl)C[NH+](C)C.[Cl-] |
| InChIKey | GDRRBGNXZZFRPK-UHFFFAOYSA-N |
Product Overview
RefChem:337162 (CAS 62674-85-5), with molecular formula C20H23Cl2NOS and molecular weight 395.09 g/mol. IUPAC: [3-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)-2-methylpropyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:337162
Property Insights of RefChem:337162
The XLogP value of 0.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:337162. With a topological polar surface area (TPSA) of 46.8 Ų, RefChem:337162 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:337162 has 1 hydrogen bond donor(s) and 3 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:337162?
The CAS number of RefChem:337162 is 62674-85-5.
What is the molecular formula of RefChem:337162?
The molecular formula of RefChem:337162 is C20H23Cl2NOS.
What is the molecular weight of RefChem:337162?
The molecular weight of RefChem:337162 is 395.09 g/mol.
Where can I buy RefChem:337162?
You can request a quote for RefChem:337162 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337162?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337162 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.