IFLab1_005889
TL;DR: IFLab1_005889 (CAS 307339-06-6) is a chemical compound with molecular formula C15H19NO5S and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: IFLab1_005889, IDI1_011292, ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ETHYL 2-(4-METHOXY-4-OXOBUTANAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, F1443-4840
| Molecular Formula | C15H19NO5S |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.3052 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.0984 |
| Heavy Atoms | 22 |
| Complexity | 592.9984 |
Chemical Identifiers
| CAS Number | 307339-06-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CCC(=O)OC |
Product Overview
IFLab1_005889 (CAS 307339-06-6), with molecular formula C15H19NO5S and molecular weight 325.10 g/mol. IUPAC: ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of IFLab1_005889
Property Insights of IFLab1_005889
The XLogP value of 2.3052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005889. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005889. Following Lipinski's Rule of Five, IFLab1_005889 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 IFLab1_005889?
The CAS number of IFLab1_005889 is 307339-06-6.
What is the molecular formula of IFLab1_005889?
The molecular formula of IFLab1_005889 is C15H19NO5S.
What is the molecular weight of IFLab1_005889?
The molecular weight of IFLab1_005889 is 325.10 g/mol.
Where can I buy IFLab1_005889?
You can request a quote for IFLab1_005889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005889?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.