MixCom6_001591
TL;DR: MixCom6_001591 (CAS 339362-62-8) is a chemical compound with molecular formula C20H23FN2O4S and molecular weight 406.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(diethylcarbamoyl)-2-[(3-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: MixCom6_001591, BIM-0031110.P001, ethyl 5-[(diethylamino)carbonyl]-2-[(3-fluorobenzoyl)amino]-4-methyl-3-thiophenecarboxylate, ethyl 5-(diethylcarbamoyl)-2-[(3-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate, ethyl 5-(diethylcarbamoyl)-2-{[(3-fluorophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate
| Molecular Formula | C20H23FN2O4S |
|---|---|
| Molecular Weight | 406.14 g/mol |
| LogP | 4.10662 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.13626 |
| Heavy Atoms | 28 |
| Complexity | 890.326 |
Chemical Identifiers
| CAS Number | 339362-62-8 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)F)C(=O)OCC)C |
Product Overview
MixCom6_001591 (CAS 339362-62-8), with molecular formula C20H23FN2O4S and molecular weight 406.14 g/mol. IUPAC: ethyl 5-(diethylcarbamoyl)-2-[(3-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of MixCom6_001591
Property Insights of MixCom6_001591
The XLogP value of 4.10662 indicates that MixCom6_001591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_001591. Following Lipinski's Rule of Five, MixCom6_001591 has 1 hydrogen bond donor(s) and 5 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 MixCom6_001591?
The CAS number of MixCom6_001591 is 339362-62-8.
What is the molecular formula of MixCom6_001591?
The molecular formula of MixCom6_001591 is C20H23FN2O4S.
What is the molecular weight of MixCom6_001591?
The molecular weight of MixCom6_001591 is 406.14 g/mol.
Where can I buy MixCom6_001591?
You can request a quote for MixCom6_001591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001591?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.