C19H19Cl2NS.ClH
TL;DR: C19H19Cl2NS.ClH (CAS 68263-38-7) is a chemical compound with molecular formula C19H20Cl3NS and molecular weight 399.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3Z)-3-(2,9-dichloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride
Also Known As: Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 2,9-dichloro-N,N-dimethyl-, hydrochloride, DIBENZO(b,e)THIEPIN-delta(sup 11(6H),gamma)PROPYLAMINE, 2,9-DICHLORO-N,N-DIMETHY, [(3Z)-3-(2,9-dichloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride, RefChem:1083324
| Molecular Formula | C19H20Cl3NS |
|---|---|
| Molecular Weight | 399.04 g/mol |
| LogP | 1.5694 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.0382 |
| Heavy Atoms | 24 |
| Complexity | 700.7723 |
Chemical Identifiers
| CAS Number | 68263-38-7 |
|---|---|
| SMILES | C[NH+](C)CC/C=C\1/C2=C(CSC3=C1C=C(C=C3)Cl)C=CC(=C2)Cl.[Cl-] |
Product Overview
C19H19Cl2NS.ClH (CAS 68263-38-7), with molecular formula C19H20Cl3NS and molecular weight 399.04 g/mol. IUPAC: [(3Z)-3-(2,9-dichloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride.
Chemical Property Profile of C19H19Cl2NS.ClH
Property Insights of C19H19Cl2NS.ClH
The XLogP value of 1.5694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H19Cl2NS.ClH. With a topological polar surface area (TPSA) of 4.44 Ų, C19H19Cl2NS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H19Cl2NS.ClH 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 C19H19Cl2NS.ClH?
The CAS number of C19H19Cl2NS.ClH is 68263-38-7.
What is the molecular formula of C19H19Cl2NS.ClH?
The molecular formula of C19H19Cl2NS.ClH is C19H20Cl3NS.
What is the molecular weight of C19H19Cl2NS.ClH?
The molecular weight of C19H19Cl2NS.ClH is 399.04 g/mol.
Where can I buy C19H19Cl2NS.ClH?
You can request a quote for C19H19Cl2NS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H19Cl2NS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C19H19Cl2NS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.