2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine
TL;DR: 2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine (CAS 315697-62-2) is a chemical compound with molecular formula C20H17NS2 and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-4-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine
Also Known As: 2-(4-methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine, AF-399/40703743, 2-(4-methylphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine, 2-(4-methylphenyl)-4-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine, F1031-0035
| Molecular Formula | C20H17NS2 |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 6.41442 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.08023 |
| Heavy Atoms | 23 |
| Complexity | 832.34296 |
Chemical Identifiers
| CAS Number | 315697-62-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=CS4 |
Product Overview
2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine (CAS 315697-62-2), with molecular formula C20H17NS2 and molecular weight 335.08 g/mol. IUPAC: 2-(4-methylphenyl)-4-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine.
Chemical Property Profile of 2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine
Property Insights of 2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine
The XLogP value of 6.41442 indicates that 2-(4-Methylphenyl)-4-thien-2-yl-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 12.36 Ų, 2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine?
The CAS number of 2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine is 315697-62-2.
What is the molecular formula of 2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine?
The molecular formula of 2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine is C20H17NS2.
What is the molecular weight of 2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine?
The molecular weight of 2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine is 335.08 g/mol.
Where can I buy 2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine?
You can request a quote for 2-(4-Methylphenyl)-4-thien-2-yl-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 2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-4-thien-2-yl-2,3-dihydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.