C13H15Cl2NS.ClH
TL;DR: C13H15Cl2NS.ClH (CAS 7384-96-5) is a chemical compound with molecular formula C13H16Cl3NS and molecular weight 323.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-1-benzothiophen-3-yl)methyl-(2-chloroethyl)-ethylazanium chloride
Also Known As: Benzo(b)thiophene-3-methylamine, 5-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride, 5-Chloro-N-(2-chloroethyl)-N-ethylbenzo(b)thiophene hydrochloride, (5-chloro-1-benzothiophen-3-yl)methyl-(2-chloroethyl)-ethylazanium chloride, Benzo[b]thiophene-3-methanamine, 5-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride, RefChem:1078835
| Molecular Formula | C13H16Cl3NS |
|---|---|
| Molecular Weight | 323.01 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0069 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 7384-96-5 |
|---|---|
| SMILES | CC[NH+](CCCl)CC1=CSC2=C1C=C(C=C2)Cl.[Cl-] |
| InChIKey | RGNZBLKITQGIEG-UHFFFAOYSA-N |
Product Overview
C13H15Cl2NS.ClH (CAS 7384-96-5), with molecular formula C13H16Cl3NS and molecular weight 323.01 g/mol. IUPAC: (5-chloro-1-benzothiophen-3-yl)methyl-(2-chloroethyl)-ethylazanium chloride.
Chemical Property Profile of C13H15Cl2NS.ClH
Property Insights of C13H15Cl2NS.ClH
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C13H15Cl2NS.ClH. With a topological polar surface area (TPSA) of 32.7 Ų, C13H15Cl2NS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13H15Cl2NS.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 C13H15Cl2NS.ClH?
The CAS number of C13H15Cl2NS.ClH is 7384-96-5.
What is the molecular formula of C13H15Cl2NS.ClH?
The molecular formula of C13H15Cl2NS.ClH is C13H16Cl3NS.
What is the molecular weight of C13H15Cl2NS.ClH?
The molecular weight of C13H15Cl2NS.ClH is 323.01 g/mol.
Where can I buy C13H15Cl2NS.ClH?
You can request a quote for C13H15Cl2NS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H15Cl2NS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C13H15Cl2NS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.