1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate
TL;DR: 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate (CAS 87565-60-4) is a chemical compound with molecular formula C21H21Cl2NO4S and molecular weight 453.06 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-bis(4-chlorophenoxy)acetate
Also Known As: 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate, Glyoxylic acid, 2-(hexahydro-1,4-thiazepin-4-yl)ethyl ester, 2-(bis(p-chlorophenyl)acetal), Acetic acid, bis(4-chlorophenoxy)-, 2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl ester, 2-(2,3-Dihydro-1,4-thiazepin-4(5H)-yl)ethyl bis(4-chlorophenoxy)acetate, 2-(3,5-dihydro-2H-1,4-thiazepin-4-yl)ethyl 2,2-bis(4-chlorophenoxy)acetate
| Molecular Formula | C21H21Cl2NO4S |
|---|---|
| Molecular Weight | 453.06 g/mol |
| LogP | 4.883 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.05682 |
| Heavy Atoms | 29 |
| Complexity | 766.9357 |
Chemical Identifiers
| CAS Number | 87565-60-4 |
|---|---|
| SMILES | C1CSC=CCN1CCOC(=O)C(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl |
Product Overview
1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate (CAS 87565-60-4), with molecular formula C21H21Cl2NO4S and molecular weight 453.06 g/mol. IUPAC: 2-(3,5-dihydro-2H-1,4-thiazepin-4-yl)ethyl 2,2-bis(4-chlorophenoxy)acetate.
Chemical Property Profile of 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate
Property Insights of 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate
The XLogP value of 4.883 indicates that 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate has 0 hydrogen bond donor(s) and 6 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 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate?
The CAS number of 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate is 87565-60-4.
What is the molecular formula of 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate?
The molecular formula of 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate is C21H21Cl2NO4S.
What is the molecular weight of 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate?
The molecular weight of 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate is 453.06 g/mol.
Where can I buy 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate?
You can request a quote for 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.