A3095/0131021
TL;DR: A3095/0131021 (CAS 442654-66-2) is a chemical compound with molecular formula C17H20ClFN2O3S and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 6-(2-chloro-6-fluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: A3095/0131021, 2-(ethylsulfanyl)ethyl 4-(2-chloro-6-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-(ETHYLSULFANYL)ETHYL 4-(2-CHLORO-6-FLUOROPHENYL)-1,6-DIMETHYL-2-OXO-3,4-DIHYDROPYRIMIDINE-5-CARBOXYLATE, 2-(ethylthio)ethyl 4-(2-chloro-6-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-ethylsulfanylethyl 6-(2-chloro-6-fluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C17H20ClFN2O3S |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 3.7455 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.08673 |
| Heavy Atoms | 25 |
| Complexity | 690.8834 |
Chemical Identifiers
| CAS Number | 442654-66-2 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC=C2Cl)F)C)C |
Product Overview
A3095/0131021 (CAS 442654-66-2), with molecular formula C17H20ClFN2O3S and molecular weight 386.09 g/mol. IUPAC: 2-ethylsulfanylethyl 6-(2-chloro-6-fluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of A3095/0131021
Property Insights of A3095/0131021
The XLogP value of 3.7455 indicates that A3095/0131021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, A3095/0131021 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3095/0131021 has 1 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 A3095/0131021?
The CAS number of A3095/0131021 is 442654-66-2.
What is the molecular formula of A3095/0131021?
The molecular formula of A3095/0131021 is C17H20ClFN2O3S.
What is the molecular weight of A3095/0131021?
The molecular weight of A3095/0131021 is 386.09 g/mol.
Where can I buy A3095/0131021?
You can request a quote for A3095/0131021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3095/0131021?
Yes, KEHONG BIO provides custom synthesis services for A3095/0131021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.