2-(4-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
TL;DR: 2-(4-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine (CAS 60246-77-7) is a chemical compound with molecular formula C22H19NOS and molecular weight 345.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
Also Known As: ChemDiv1_022284, 2-(4-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine, BAS 00533459, Methyl 4-(4-phenyl-2,3-dihydro-1,5-benzothiazepin-2-yl)phenyl ether, 2,3-Dihydro-2-(4-methoxyphenyl)-4-phenyl-1,5-benzothiazepine
| Molecular Formula | C22H19NOS |
|---|---|
| Molecular Weight | 345.12 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.11874 |
| Heavy Atoms | 25 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 60246-77-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=CC=C4 |
| InChIKey | ZVDODLRPJFDLAT-UHFFFAOYSA-N |
Product Overview
2-(4-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine (CAS 60246-77-7), with molecular formula C22H19NOS and molecular weight 345.12 g/mol. IUPAC: 2-(4-methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine.
Chemical Property Profile of 2-(4-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
Property Insights of 2-(4-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
The XLogP value of 5.1 indicates that 2-(4-Methoxyphenyl)-4-phenyl-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 46.9 Ų, 2-(4-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-4-phenyl-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-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine?
The CAS number of 2-(4-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine is 60246-77-7.
What is the molecular formula of 2-(4-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine?
The molecular formula of 2-(4-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine is C22H19NOS.
What is the molecular weight of 2-(4-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine?
The molecular weight of 2-(4-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine is 345.12 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine?
You can request a quote for 2-(4-Methoxyphenyl)-4-phenyl-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-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.