RefChem:522698
TL;DR: RefChem:522698 (CAS 730951-35-6) is a chemical compound with molecular formula C14H16ClNO5S and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-prop-2-enyl 5-[(2-chloroacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 5-(2-Chloro-acetylamino)-3-methyl-thiophene-2,4-dicarboxylic acid 2-allyl ester 4-ethyl ester, 4-ethyl 2-prop-2-en-1-yl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate, 4-Ethyl 2-(2-propen-1-yl) 5-[(2-chloroacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate, 4-O-ethyl 2-O-prop-2-enyl 5-[(2-chloroacetyl)amino]-3-methylthiophene-2,4-dicarboxylate, 2-Allyl 4-Ethyl 5-(2-Chloroacetamido)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C14H16ClNO5S |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 2.75332 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.04376 |
| Heavy Atoms | 22 |
| Complexity | 596.2988 |
Chemical Identifiers
| CAS Number | 730951-35-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CCl |
Product Overview
RefChem:522698 (CAS 730951-35-6), with molecular formula C14H16ClNO5S and molecular weight 345.04 g/mol. IUPAC: 4-O-ethyl 2-O-prop-2-enyl 5-[(2-chloroacetyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of RefChem:522698
Property Insights of RefChem:522698
The XLogP value of 2.75332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:522698. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:522698. Following Lipinski's Rule of Five, RefChem:522698 has 1 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 RefChem:522698?
The CAS number of RefChem:522698 is 730951-35-6.
What is the molecular formula of RefChem:522698?
The molecular formula of RefChem:522698 is C14H16ClNO5S.
What is the molecular weight of RefChem:522698?
The molecular weight of RefChem:522698 is 345.04 g/mol.
Where can I buy RefChem:522698?
You can request a quote for RefChem:522698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:522698?
Yes, KEHONG BIO provides custom synthesis services for RefChem:522698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.