2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
TL;DR: 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one (CAS 89813-69-4) is a chemical compound with molecular formula C21H17NOS and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Also Known As: 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one, 2,3-Dihydro-2,3-diphenyl-1,5-benzothiazepin-4(5H)-one, 2,3-Diphenyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, 2,3-diphenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one, 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-2,3-diphenyl-, trans-
| Molecular Formula | C21H17NOS |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.1031 |
| Heavy Atoms | 24 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 89813-69-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(SC3=CC=CC=C3NC2=O)C4=CC=CC=C4 |
| InChIKey | ZMHDICIGXUPXID-UHFFFAOYSA-N |
Product Overview
2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one (CAS 89813-69-4), with molecular formula C21H17NOS and molecular weight 331.10 g/mol. IUPAC: 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one.
Chemical Property Profile of 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Property Insights of 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
The XLogP value of 4.5 indicates that 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one has 1 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 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The CAS number of 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is 89813-69-4.
What is the molecular formula of 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The molecular formula of 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is C21H17NOS.
What is the molecular weight of 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The molecular weight of 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is 331.10 g/mol.
Where can I buy 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
You can request a quote for 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-diphenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.