5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
TL;DR: 5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (CAS 478246-68-3) is a chemical compound with molecular formula C17H16ClNOS and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methyl]-7-methyl-2,3-dihydro-1,5-benzothiazepin-4-one
Also Known As: 9N-301S, 5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, 5-[(4-chlorophenyl)methyl]-7-methyl-2,3-dihydro-1,5-benzothiazepin-4-one, 5-(4-Chlorobenzyl)-7-methyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one, 5-[(4-chlorophenyl)methyl]-7-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
| Molecular Formula | C17H16ClNOS |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 4.67742 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.06412 |
| Heavy Atoms | 21 |
| Complexity | 668.99036 |
Chemical Identifiers
| CAS Number | 478246-68-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SCCC(=O)N2CC3=CC=C(C=C3)Cl |
Product Overview
5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (CAS 478246-68-3), with molecular formula C17H16ClNOS and molecular weight 317.06 g/mol. IUPAC: 5-[(4-chlorophenyl)methyl]-7-methyl-2,3-dihydro-1,5-benzothiazepin-4-one.
Chemical Property Profile of 5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Property Insights of 5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
The XLogP value of 4.67742 indicates that 5-(4-chlorobenzyl)-7-methyl-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, 5-(4-chlorobenzyl)-7-methyl-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, 5-(4-chlorobenzyl)-7-methyl-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 5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The CAS number of 5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is 478246-68-3.
What is the molecular formula of 5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The molecular formula of 5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is C17H16ClNOS.
What is the molecular weight of 5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The molecular weight of 5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is 317.06 g/mol.
Where can I buy 5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
You can request a quote for 5-(4-chlorobenzyl)-7-methyl-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 5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorobenzyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.