C19H20ClNOS.ClH
TL;DR: C19H20ClNOS.ClH (CAS 62674-83-3) is a chemical compound with molecular formula C19H21Cl2NOS and molecular weight 381.07 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)propyl-dimethylazanium chloride
Also Known As: Dibenzo(b,f)thiepin-10(11H)-one, 8-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride, 8-Chloro-11-(3-(dimethylamino)propyl)dibenzo(b,f)thiepin-10(11H)-one hydrochloride, 3-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)propyl-dimethylazanium chloride, RefChem:337163
| Molecular Formula | C19H21Cl2NOS |
|---|---|
| Molecular Weight | 381.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 46.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.07208 |
| Heavy Atoms | 24 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 62674-83-3 |
|---|---|
| SMILES | C[NH+](C)CCCC1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)Cl.[Cl-] |
| InChIKey | FIVPKLYQYDMTCG-UHFFFAOYSA-N |
Product Overview
C19H20ClNOS.ClH (CAS 62674-83-3), with molecular formula C19H21Cl2NOS and molecular weight 381.07 g/mol. IUPAC: 3-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)propyl-dimethylazanium chloride.
Chemical Property Profile of C19H20ClNOS.ClH
Property Insights of C19H20ClNOS.ClH
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H20ClNOS.ClH. With a topological polar surface area (TPSA) of 46.8 Ų, C19H20ClNOS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H20ClNOS.ClH 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 C19H20ClNOS.ClH?
The CAS number of C19H20ClNOS.ClH is 62674-83-3.
What is the molecular formula of C19H20ClNOS.ClH?
The molecular formula of C19H20ClNOS.ClH is C19H21Cl2NOS.
What is the molecular weight of C19H20ClNOS.ClH?
The molecular weight of C19H20ClNOS.ClH is 381.07 g/mol.
Where can I buy C19H20ClNOS.ClH?
You can request a quote for C19H20ClNOS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H20ClNOS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C19H20ClNOS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.