![4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one structure](/static/products/4032/40322-45-0.webp)
4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one
TL;DR: 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one (CAS 40322-45-0) is a chemical compound with molecular formula C17H16O2S and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[hydroxy(phenyl)methyl]-3,4-dihydro-2H-1-benzothiepin-5-one
Also Known As: 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one, 4-[hydroxy(phenyl)methyl]-3,4-dihydro-2H-1-benzothiepin-5-on, 4-(Hydroxy-phenyl-methyl)-3,4-dihydro-2H-benzo[b]thiepin-5-one, 4-[hydroxy(phenyl)methyl]-3,4-dihydro-2H-1-benzothiepin-5-one
| Molecular Formula | C17H16O2S |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.0871 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 40322-45-0 |
|---|---|
| SMILES | C1CSC2=CC=CC=C2C(=O)C1C(C3=CC=CC=C3)O |
| InChIKey | AJAVRBXBQDKTOL-UHFFFAOYSA-N |
Product Overview
4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one (CAS 40322-45-0), with molecular formula C17H16O2S and molecular weight 284.09 g/mol. IUPAC: 4-[hydroxy(phenyl)methyl]-3,4-dihydro-2H-1-benzothiepin-5-one.
Chemical Property Profile of 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one
Property Insights of 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one
The XLogP value of 3.7 indicates that 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one. Following Lipinski's Rule of Five, 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one has 1 hydrogen bond donor(s) and 3 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-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one?
The CAS number of 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one is 40322-45-0.
What is the molecular formula of 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one?
The molecular formula of 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one is C17H16O2S.
What is the molecular weight of 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one?
The molecular weight of 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one is 284.09 g/mol.
Where can I buy 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one?
You can request a quote for 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[Hydroxy(phenyl)methyl]-3,4-dihydro-1-benzothiepin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.