2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate
TL;DR: 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate (CAS 87565-58-0) is a chemical compound with molecular formula C21H23NO2S and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dihydro-2H-1,4-thiazepin-4-yl)ethyl 2,2-diphenylacetate
Also Known As: 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate, 2-(Tetrahydro-1,4-thiazepin-4(5H)-2-yl)ethyl alph a-phenylbenzeneacetate, Benzeneacetic acid, alpha-phenyl-, 2-(tetrahydro-1,4-thiazepin-4(5H)-2-yl)ethyl ester, 2-(2,3-Dihydro-1,4-thiazepin-4(5H)-yl)ethyl diphenylacetate, 2-(3,5-dihydro-2H-1,4-thiazepin-4-yl)ethyl 2,2-diphenylacetate
| Molecular Formula | C21H23NO2S |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 3.9242 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.14496 |
| Heavy Atoms | 25 |
| Complexity | 648.05695 |
Chemical Identifiers
| CAS Number | 87565-58-0 |
|---|---|
| SMILES | C1CSC=CCN1CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate (CAS 87565-58-0), with molecular formula C21H23NO2S and molecular weight 353.14 g/mol. IUPAC: 2-(3,5-dihydro-2H-1,4-thiazepin-4-yl)ethyl 2,2-diphenylacetate.
Chemical Property Profile of 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate
Property Insights of 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate
The XLogP value of 3.9242 indicates that 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate has 0 hydrogen bond donor(s) and 4 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-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate?
The CAS number of 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate is 87565-58-0.
What is the molecular formula of 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate?
The molecular formula of 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate is C21H23NO2S.
What is the molecular weight of 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate?
The molecular weight of 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate is 353.14 g/mol.
Where can I buy 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate?
You can request a quote for 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hexahydro-1,4-thiazepin-4-yl)ethyl diphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.