C18H17ClFNS.ClH
TL;DR: C18H17ClFNS.ClH (CAS 17512-42-4) is a chemical compound with molecular formula C18H18Cl2FNS and molecular weight 369.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-chloro-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]ethanamine;hydrochloride
Also Known As: Benzo(b)thiophene-3-methylamine, N-benzyl-N-(2-chloroethyl)-5-fluoro-, hydrochloride, N-Benzyl-N-(2-chloroethyl)-5-fluorobenzo(b)thiophene-3-methylamine hydrochloride, Benzo(b)thiophene-3-methanamine, N-(2-chloroethyl)-5-fluoro-N-(phenylmethyl)-, hydrochloride, N-benzyl-2-chloro-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]ethanamine hydrochloride, N-Benzyl-2-chloro-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]ethan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C18H18Cl2FNS |
|---|---|
| Molecular Weight | 369.05 g/mol |
| LogP | 5.7032 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.0521 |
| Heavy Atoms | 23 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 17512-42-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCCl)CC2=CSC3=C2C=C(C=C3)F.Cl |
| InChIKey | VHJMNKBYOSDGEC-UHFFFAOYSA-N |
Product Overview
C18H17ClFNS.ClH (CAS 17512-42-4), with molecular formula C18H18Cl2FNS and molecular weight 369.05 g/mol. IUPAC: N-benzyl-2-chloro-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]ethanamine;hydrochloride.
Chemical Property Profile of C18H17ClFNS.ClH
Property Insights of C18H17ClFNS.ClH
The XLogP value of 5.7032 indicates that C18H17ClFNS.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, C18H17ClFNS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H17ClFNS.ClH has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H17ClFNS.ClH?
The CAS number of C18H17ClFNS.ClH is 17512-42-4.
What is the molecular formula of C18H17ClFNS.ClH?
The molecular formula of C18H17ClFNS.ClH is C18H18Cl2FNS.
What is the molecular weight of C18H17ClFNS.ClH?
The molecular weight of C18H17ClFNS.ClH is 369.05 g/mol.
Where can I buy C18H17ClFNS.ClH?
You can request a quote for C18H17ClFNS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H17ClFNS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C18H17ClFNS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.