IFLab1_003440
TL;DR: IFLab1_003440 (CAS 325694-82-4) is a chemical compound with molecular formula C19H21NO5S2 and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[1-(benzenesulfonyl)cyclopropanecarbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: IFLab1_003440, BAS 03353177, AF-399/37313013, ethyl 4,5-dimethyl-2-({[1-(phenylsulfonyl)cyclopropyl]carbonyl}amino)thiophene-3-carboxylate, ethyl 2-[1-(benzenesulfonyl)cyclopropaneamido]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C19H21NO5S2 |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 3.48664 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.08612 |
| Heavy Atoms | 27 |
| Complexity | 988.60736 |
Chemical Identifiers
| CAS Number | 325694-82-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2(CC2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
IFLab1_003440 (CAS 325694-82-4), with molecular formula C19H21NO5S2 and molecular weight 407.09 g/mol. IUPAC: ethyl 2-[[1-(benzenesulfonyl)cyclopropanecarbonyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of IFLab1_003440
Property Insights of IFLab1_003440
The XLogP value of 3.48664 indicates that IFLab1_003440 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003440. Following Lipinski's Rule of Five, IFLab1_003440 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_003440?
The CAS number of IFLab1_003440 is 325694-82-4.
What is the molecular formula of IFLab1_003440?
The molecular formula of IFLab1_003440 is C19H21NO5S2.
What is the molecular weight of IFLab1_003440?
The molecular weight of IFLab1_003440 is 407.09 g/mol.
Where can I buy IFLab1_003440?
You can request a quote for IFLab1_003440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003440?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.