C18H20ClNOS.ClH
TL;DR: C18H20ClNOS.ClH (CAS 62674-88-8) is a chemical compound with molecular formula C18H21Cl2NOS and molecular weight 369.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5S,6S)-3-chloro-5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]ethyl-dimethylazanium chloride
Also Known As: cis-10,11-Dihydro-8-chloro-11-(2-(dimethylamino)ethyl)dibenzo(b,f)thiepin-10-ol hydrochloride, Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-8-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride, cis-, DIBENZO(b,f)THIEPIN-10-OL, 10,11-DIHYDRO-8-CHLORO-11-(2-(DIMETHYLAMINO)ETHYL)-,, 2-[(5S,6S)-3-chloro-5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]ethyl-dimethylazanium chloride, RefChem:337178
| Molecular Formula | C18H21Cl2NOS |
|---|---|
| Molecular Weight | 369.07 g/mol |
| LogP | 0.16 |
| Topological Polar Surface Area | 50.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.07208 |
| Heavy Atoms | 23 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 62674-88-8 |
|---|---|
| SMILES | C[NH+](C)CC[C@@H]1[C@@H](C2=C(C=CC(=C2)Cl)SC3=CC=CC=C13)O.[Cl-] |
| InChIKey | XFRDUYQFDGZSDE-DJKAKHFESA-N |
Product Overview
C18H20ClNOS.ClH (CAS 62674-88-8), with molecular formula C18H21Cl2NOS and molecular weight 369.07 g/mol. IUPAC: 2-[(5S,6S)-3-chloro-5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]ethyl-dimethylazanium chloride.
Chemical Property Profile of C18H20ClNOS.ClH
Property Insights of C18H20ClNOS.ClH
The XLogP value of 0.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H20ClNOS.ClH. With a topological polar surface area (TPSA) of 50.0 Ų, C18H20ClNOS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H20ClNOS.ClH has 2 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 C18H20ClNOS.ClH?
The CAS number of C18H20ClNOS.ClH is 62674-88-8.
What is the molecular formula of C18H20ClNOS.ClH?
The molecular formula of C18H20ClNOS.ClH is C18H21Cl2NOS.
What is the molecular weight of C18H20ClNOS.ClH?
The molecular weight of C18H20ClNOS.ClH is 369.07 g/mol.
Where can I buy C18H20ClNOS.ClH?
You can request a quote for C18H20ClNOS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H20ClNOS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C18H20ClNOS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.