C15H19BrClNS.ClH
TL;DR: C15H19BrClNS.ClH (CAS 17512-51-5) is a chemical compound with molecular formula C15H20BrCl2NS and molecular weight 394.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)butan-1-amine;hydrochloride
Also Known As: Benzo(b)thiophene-3-methylamine, 5-bromo-N-tert-butyl-N-(2-chloroethyl)-, hydrochloride, 5-Bromo-N-tert-butyl-N-(2-chloroethyl)benzo(b)thiophene-3-methylamine hydrochloride, Benzo(b)thiophene-3-methanamine, 5-bromo-N-(2-chloroethyl)-N-(1,1-dimethylethyl)-, HCl, N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)butan-1-amine hydrochloride, N-[(5-Bromo-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C15H20BrCl2NS |
|---|---|
| Molecular Weight | 394.99 g/mol |
| LogP | 5.9265 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.9877 |
| Heavy Atoms | 20 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 17512-51-5 |
|---|---|
| SMILES | CCCCN(CCCl)CC1=CSC2=C1C=C(C=C2)Br.Cl |
| InChIKey | FZXQWGZEHGTHQQ-UHFFFAOYSA-N |
Product Overview
C15H19BrClNS.ClH (CAS 17512-51-5), with molecular formula C15H20BrCl2NS and molecular weight 394.99 g/mol. IUPAC: N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)butan-1-amine;hydrochloride.
Chemical Property Profile of C15H19BrClNS.ClH
Property Insights of C15H19BrClNS.ClH
The XLogP value of 5.9265 indicates that C15H19BrClNS.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.5 Ų, C15H19BrClNS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H19BrClNS.ClH has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C15H19BrClNS.ClH?
The CAS number of C15H19BrClNS.ClH is 17512-51-5.
What is the molecular formula of C15H19BrClNS.ClH?
The molecular formula of C15H19BrClNS.ClH is C15H20BrCl2NS.
What is the molecular weight of C15H19BrClNS.ClH?
The molecular weight of C15H19BrClNS.ClH is 394.99 g/mol.
Where can I buy C15H19BrClNS.ClH?
You can request a quote for C15H19BrClNS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H19BrClNS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C15H19BrClNS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.