7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
TL;DR: 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (CAS 341967-91-7) is a chemical compound with molecular formula C16H13ClFNOS and molecular weight 321.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-[(4-fluorophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one
Also Known As: 10N-332S, 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, 7-chloro-5-[(4-fluorophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one, 7-chloro-5-[(4-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
| Molecular Formula | C16H13ClFNOS |
|---|---|
| Molecular Weight | 321.04 g/mol |
| LogP | 4.5081 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.03903 |
| Heavy Atoms | 21 |
| Complexity | 674.47723 |
Chemical Identifiers
| CAS Number | 341967-91-7 |
|---|---|
| SMILES | C1CSC2=C(C=C(C=C2)Cl)N(C1=O)CC3=CC=C(C=C3)F |
Product Overview
7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (CAS 341967-91-7), with molecular formula C16H13ClFNOS and molecular weight 321.04 g/mol. IUPAC: 7-chloro-5-[(4-fluorophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one.
Chemical Property Profile of 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Property Insights of 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
The XLogP value of 4.5081 indicates that 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one has 0 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 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The CAS number of 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is 341967-91-7.
What is the molecular formula of 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The molecular formula of 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is C16H13ClFNOS.
What is the molecular weight of 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The molecular weight of 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is 321.04 g/mol.
Where can I buy 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
You can request a quote for 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-5-(4-fluorobenzyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.