4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol
TL;DR: 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol (CAS 64820-41-3) 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.
4-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol
Also Known As: 4H,6H-Thieno<3,4-d>furoxan, 4-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol, Phenol, 4-(2,3-dihydro-2-phenyl-1,5-benzothiazepin-4-yl)-, AJ-091/33281007, 4-(2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)cyclohexa-2,5-dien-1-one
| Molecular Formula | C21H17NOS |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 5.7501 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.1031 |
| Heavy Atoms | 24 |
| Complexity | 871.8553 |
Chemical Identifiers
| CAS Number | 64820-41-3 |
|---|---|
| SMILES | C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)O)C4=CC=CC=C4 |
Product Overview
4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol (CAS 64820-41-3), with molecular formula C21H17NOS and molecular weight 331.10 g/mol. IUPAC: 4-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol.
Chemical Property Profile of 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol
Property Insights of 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol
The XLogP value of 5.7501 indicates that 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.59 Ų, 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol has 1 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 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol?
The CAS number of 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol is 64820-41-3.
What is the molecular formula of 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol?
The molecular formula of 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol is C21H17NOS.
What is the molecular weight of 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol?
The molecular weight of 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol is 331.10 g/mol.
Where can I buy 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol?
You can request a quote for 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.