C14H12ClNO4S2
TL;DR: C14H12ClNO4S2 (CAS 428844-79-5) is a chemical compound with molecular formula C14H12ClNO4S2 and molecular weight 356.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-2-oxoethyl) 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: BAS 03066116, methyl 2-[3-(4-chlorophenyl)-4-methyl-2-thioxo-1,3-thiazolin-5-ylcarbonyloxy]a cetate, (2-methoxy-2-oxoethyl) 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate, 2-methoxy-2-oxoethyl 3-(4-chlorophenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate, 2-methoxy-2-oxoethyl 3-(4-chlorophenyl)-4-methyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate
| Molecular Formula | C14H12ClNO4S2 |
|---|---|
| Molecular Weight | 356.99 g/mol |
| LogP | 3.55991 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.98962 |
| Heavy Atoms | 22 |
| Complexity | 764.1403 |
Chemical Identifiers
| CAS Number | 428844-79-5 |
|---|---|
| SMILES | CC1=C(SC(=S)N1C2=CC=C(C=C2)Cl)C(=O)OCC(=O)OC |
Product Overview
C14H12ClNO4S2 (CAS 428844-79-5), with molecular formula C14H12ClNO4S2 and molecular weight 356.99 g/mol. IUPAC: (2-methoxy-2-oxoethyl) 3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of C14H12ClNO4S2
Property Insights of C14H12ClNO4S2
The XLogP value of 3.55991 indicates that C14H12ClNO4S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, C14H12ClNO4S2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C14H12ClNO4S2 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 C14H12ClNO4S2?
The CAS number of C14H12ClNO4S2 is 428844-79-5.
What is the molecular formula of C14H12ClNO4S2?
The molecular formula of C14H12ClNO4S2 is C14H12ClNO4S2.
What is the molecular weight of C14H12ClNO4S2?
The molecular weight of C14H12ClNO4S2 is 356.99 g/mol.
Where can I buy C14H12ClNO4S2?
You can request a quote for C14H12ClNO4S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H12ClNO4S2?
Yes, KEHONG BIO provides custom synthesis services for C14H12ClNO4S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.