C13H15BrClNS.ClH
TL;DR: C13H15BrClNS.ClH (CAS 7349-46-4) is a chemical compound with molecular formula C13H16BrCl2NS and molecular weight 366.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-1-benzothiophen-3-yl)methyl-(2-chloroethyl)-ethylazanium chloride
Also Known As: Benzo(b)thiophene-3-methylamine, 5-bromo-N-(2-chloroethyl)-N-ethyl-, hydrochloride, 5-Bromo-N-(2-chloroethyl)-N-ethylbenzo(b)thiophene-3-methylamine hydrochloride, (5-bromo-1-benzothiophen-3-yl)methyl-(2-chloroethyl)-ethylazanium chloride, Benzo[b]thiophene-3-methanamine, 5-bromo-N-(2-chloroethyl)-N-ethyl-, hydrochloride, RefChem:1078834
| Molecular Formula | C13H16BrCl2NS |
|---|---|
| Molecular Weight | 366.96 g/mol |
| LogP | 0.31 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.9564 |
| Heavy Atoms | 18 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 7349-46-4 |
|---|---|
| SMILES | CC[NH+](CCCl)CC1=CSC2=C1C=C(C=C2)Br.[Cl-] |
| InChIKey | PREPJIALCYNOPK-UHFFFAOYSA-N |
Product Overview
C13H15BrClNS.ClH (CAS 7349-46-4), with molecular formula C13H16BrCl2NS and molecular weight 366.96 g/mol. IUPAC: (5-bromo-1-benzothiophen-3-yl)methyl-(2-chloroethyl)-ethylazanium chloride.
Chemical Property Profile of C13H15BrClNS.ClH
Property Insights of C13H15BrClNS.ClH
The XLogP value of 0.31 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C13H15BrClNS.ClH. With a topological polar surface area (TPSA) of 32.7 Ų, C13H15BrClNS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13H15BrClNS.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 C13H15BrClNS.ClH?
The CAS number of C13H15BrClNS.ClH is 7349-46-4.
What is the molecular formula of C13H15BrClNS.ClH?
The molecular formula of C13H15BrClNS.ClH is C13H16BrCl2NS.
What is the molecular weight of C13H15BrClNS.ClH?
The molecular weight of C13H15BrClNS.ClH is 366.96 g/mol.
Where can I buy C13H15BrClNS.ClH?
You can request a quote for C13H15BrClNS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H15BrClNS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C13H15BrClNS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.