C19H22ClNS.ClH
TL;DR: C19H22ClNS.ClH (CAS 1159-84-8) is a chemical compound with molecular formula C19H23Cl2NS and molecular weight 367.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium chloride
Also Known As: Dibenz(b,e)thiepin, 6,11-dihydro-2-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride, 2-Chloro-6,11-dihydro-11-(3-(dimethylamino)propyl)dibenz(b,e)thiepin hydrochloride, 3-(2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium chloride, Dibenzo[b,e]thiepin-11-propanamine, 2-chloro-6,11-dihydro-N,N-dimethyl-, hydrochloride, RefChem:337009
| Molecular Formula | C19H23Cl2NS |
|---|---|
| Molecular Weight | 367.09 g/mol |
| LogP | 1.01 |
| Topological Polar Surface Area | 29.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.09283 |
| Heavy Atoms | 23 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 1159-84-8 |
|---|---|
| SMILES | C[NH+](C)CCCC1C2=CC=CC=C2CSC3=C1C=C(C=C3)Cl.[Cl-] |
| InChIKey | YAEDRQZQMPYXHN-UHFFFAOYSA-N |
Product Overview
C19H22ClNS.ClH (CAS 1159-84-8), with molecular formula C19H23Cl2NS and molecular weight 367.09 g/mol. IUPAC: 3-(2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium chloride.
Chemical Property Profile of C19H22ClNS.ClH
Property Insights of C19H22ClNS.ClH
The XLogP value of 1.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H22ClNS.ClH. With a topological polar surface area (TPSA) of 29.7 Ų, C19H22ClNS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H22ClNS.ClH has 1 hydrogen bond donor(s) and 2 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 C19H22ClNS.ClH?
The CAS number of C19H22ClNS.ClH is 1159-84-8.
What is the molecular formula of C19H22ClNS.ClH?
The molecular formula of C19H22ClNS.ClH is C19H23Cl2NS.
What is the molecular weight of C19H22ClNS.ClH?
The molecular weight of C19H22ClNS.ClH is 367.09 g/mol.
Where can I buy C19H22ClNS.ClH?
You can request a quote for C19H22ClNS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H22ClNS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C19H22ClNS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.