C17H16ClNOS.ClH
TL;DR: C17H16ClNOS.ClH (CAS 97874-57-2) is a chemical compound with molecular formula C17H17Cl2NOS and molecular weight 353.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-[dimethylamino(phenyl)methyl]-3H-2-benzothiophen-1-one;hydrochloride
Also Known As: 6-Chloro-3-((dimethylamino)phenylmethyl)benzo(c)thiophen-1(3H)-one hydrochloride, Benzo(c)thiophen-1(3H)-one, 6-chloro-3-((dimethylamino)phenylmethyl)-, hydrochloride, 6-chloro-3-[dimethylamino(phenyl)methyl]-3H-2-benzothiophen-1-one hydrochloride, 6-Chloro-3-[(dimethylamino)(phenyl)methyl]-2-benzothiophen-1(3H)-one--hydrogen chloride (1/1), RefChem:326321
| Molecular Formula | C17H17Cl2NOS |
|---|---|
| Molecular Weight | 353.04 g/mol |
| LogP | 4.9928 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.0408 |
| Heavy Atoms | 22 |
| Complexity | 675.6141 |
Chemical Identifiers
| CAS Number | 97874-57-2 |
|---|---|
| SMILES | CN(C)C(C1C2=C(C=C(C=C2)Cl)C(=O)S1)C3=CC=CC=C3.Cl |
Product Overview
C17H16ClNOS.ClH (CAS 97874-57-2), with molecular formula C17H17Cl2NOS and molecular weight 353.04 g/mol. IUPAC: 6-chloro-3-[dimethylamino(phenyl)methyl]-3H-2-benzothiophen-1-one;hydrochloride.
Chemical Property Profile of C17H16ClNOS.ClH
Property Insights of C17H16ClNOS.ClH
The XLogP value of 4.9928 indicates that C17H16ClNOS.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, C17H16ClNOS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H16ClNOS.ClH has 0 hydrogen bond donor(s) and 3 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 C17H16ClNOS.ClH?
The CAS number of C17H16ClNOS.ClH is 97874-57-2.
What is the molecular formula of C17H16ClNOS.ClH?
The molecular formula of C17H16ClNOS.ClH is C17H17Cl2NOS.
What is the molecular weight of C17H16ClNOS.ClH?
The molecular weight of C17H16ClNOS.ClH is 353.04 g/mol.
Where can I buy C17H16ClNOS.ClH?
You can request a quote for C17H16ClNOS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H16ClNOS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C17H16ClNOS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.