4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
TL;DR: 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine (CAS 78031-24-0) is a chemical compound with molecular formula C16H14ClNS and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
Also Known As: 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine, NCI60_012265, 1,5-Benzothiazepine, 4-(4-chlorophenyl)-2,3-dihydro-2-methyl-, 2-Methyl-4-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepine, 4-(4-Chlorophenyl)-2,3-dihydro-2-methyl-1,5-benzothiazepine
| Molecular Formula | C16H14ClNS |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 37.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.05356 |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 78031-24-0 |
|---|---|
| SMILES | CC1CC(=NC2=CC=CC=C2S1)C3=CC=C(C=C3)Cl |
| InChIKey | SRFCVELFGQYQOG-UHFFFAOYSA-N |
Product Overview
4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine (CAS 78031-24-0), with molecular formula C16H14ClNS and molecular weight 287.05 g/mol. IUPAC: 4-(4-chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine.
Chemical Property Profile of 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
Property Insights of 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
The XLogP value of 4.6 indicates that 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.7 Ų, 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine 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 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine?
The CAS number of 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine is 78031-24-0.
What is the molecular formula of 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine?
The molecular formula of 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine is C16H14ClNS.
What is the molecular weight of 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine?
The molecular weight of 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine is 287.05 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine?
You can request a quote for 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.