C12H14BrNS.ClH
TL;DR: C12H14BrNS.ClH (CAS 22964-04-1) is a chemical compound with molecular formula C12H15BrClNS and molecular weight 318.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-1-benzothiophen-3-yl)ethyl-dimethylazanium chloride
Also Known As: 5-Bromo-N,N-dimethylbenzo(b)thiophene-3-ethylamine hydrochloride, 2-(5-bromo-1-benzothiophen-3-yl)ethyl-dimethylazanium chloride, BENZO(b)THIOPHENE-3-ETHYLAMINE, 5-BROMO-N,N-DIMETHYL-, HYDROCHLORIDE, Benzo[b]thiophene-3-ethanamine, 5-bromo-N,N-dimethyl-, hydrochloride, Benzo[b]thiophene-3-ethylamine, 5-bromo-N,N-dimethyl-, hydrochloride
| Molecular Formula | C12H15BrClNS |
|---|---|
| Molecular Weight | 318.98 g/mol |
| LogP | -0.65 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.9797 |
| Heavy Atoms | 16 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 22964-04-1 |
|---|---|
| SMILES | C[NH+](C)CCC1=CSC2=C1C=C(C=C2)Br.[Cl-] |
| InChIKey | GWRIEBWTOVUVEA-UHFFFAOYSA-N |
Product Overview
C12H14BrNS.ClH (CAS 22964-04-1), with molecular formula C12H15BrClNS and molecular weight 318.98 g/mol. IUPAC: 2-(5-bromo-1-benzothiophen-3-yl)ethyl-dimethylazanium chloride.
Chemical Property Profile of C12H14BrNS.ClH
Property Insights of C12H14BrNS.ClH
The XLogP value of -0.65 indicates that C12H14BrNS.ClH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.7 Ų, C12H14BrNS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C12H14BrNS.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 C12H14BrNS.ClH?
The CAS number of C12H14BrNS.ClH is 22964-04-1.
What is the molecular formula of C12H14BrNS.ClH?
The molecular formula of C12H14BrNS.ClH is C12H15BrClNS.
What is the molecular weight of C12H14BrNS.ClH?
The molecular weight of C12H14BrNS.ClH is 318.98 g/mol.
Where can I buy C12H14BrNS.ClH?
You can request a quote for C12H14BrNS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H14BrNS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C12H14BrNS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.