ChemDiv1_001173
TL;DR: ChemDiv1_001173 (CAS 5667-59-4) is a chemical compound with molecular formula C21H19NO6S and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[(2-oxochromene-3-carbonyl)amino]-5-propanoylthiophene-3-carboxylate
Also Known As: ChemDiv1_001173, BAS 00660543, BIM-0027457.P001, ETHYL 4-METHYL-2-[(2-OXOCHROMENE-3-CARBONYL)AMINO]-5-PROPANOYL-THIOPHENE-3-CARBOXYLATE, Ethyl 4-methyl-2-(2-oxo-2H-1-benzopyran-3-carboxamido)-5-propanoylthiophene-3-carboxylate
| Molecular Formula | C21H19NO6S |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 4.18462 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.09332 |
| Heavy Atoms | 29 |
| Complexity | 1173.6183 |
Chemical Identifiers
| CAS Number | 5667-59-4 |
|---|---|
| SMILES | CCC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)OCC)C |
Product Overview
ChemDiv1_001173 (CAS 5667-59-4), with molecular formula C21H19NO6S and molecular weight 413.09 g/mol. IUPAC: ethyl 4-methyl-2-[(2-oxochromene-3-carbonyl)amino]-5-propanoylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_001173
Property Insights of ChemDiv1_001173
The XLogP value of 4.18462 indicates that ChemDiv1_001173 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001173. Following Lipinski's Rule of Five, ChemDiv1_001173 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_001173?
The CAS number of ChemDiv1_001173 is 5667-59-4.
What is the molecular formula of ChemDiv1_001173?
The molecular formula of ChemDiv1_001173 is C21H19NO6S.
What is the molecular weight of ChemDiv1_001173?
The molecular weight of ChemDiv1_001173 is 413.09 g/mol.
Where can I buy ChemDiv1_001173?
You can request a quote for ChemDiv1_001173 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001173?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001173 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.