C17H17NS.ClH
TL;DR: C17H17NS.ClH (CAS 23247-39-4) is a chemical compound with molecular formula C17H20ClNS and molecular weight 305.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-N,N-dimethylmethanamine;hydrochloride
Also Known As: GP 41299, N,N-Dimethyldibenzo(b,f)thiepin-10-methylamine hydrochloride, Dibenzo(b,f)thiepin-10-methanamine, N,N-dimethyl-, hydrochloride, Dibenzo[b,f]thiepin-10-methanamine, N,N-dimethyl-, hydrochloride, Dibenzo(b,f)thiepin-10-methanamine, N,N-dimethyl-, hydrochloride (9CI)
| Molecular Formula | C17H20ClNS |
|---|---|
| Molecular Weight | 305.10 g/mol |
| LogP | 4.46 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.1005 |
| Heavy Atoms | 20 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 23247-39-4 |
|---|---|
| SMILES | CN(C)CC1CC2=CC=CC=C2SC3=CC=CC=C13.Cl |
| InChIKey | DVNROWSUNXGNHC-UHFFFAOYSA-N |
Product Overview
C17H17NS.ClH (CAS 23247-39-4), with molecular formula C17H20ClNS and molecular weight 305.10 g/mol. IUPAC: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-N,N-dimethylmethanamine;hydrochloride.
Chemical Property Profile of C17H17NS.ClH
Property Insights of C17H17NS.ClH
The XLogP value of 4.46 indicates that C17H17NS.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, C17H17NS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H17NS.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 C17H17NS.ClH?
The CAS number of C17H17NS.ClH is 23247-39-4.
What is the molecular formula of C17H17NS.ClH?
The molecular formula of C17H17NS.ClH is C17H20ClNS.
What is the molecular weight of C17H17NS.ClH?
The molecular weight of C17H17NS.ClH is 305.10 g/mol.
Where can I buy C17H17NS.ClH?
You can request a quote for C17H17NS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H17NS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C17H17NS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.