IFLab1_004120
TL;DR: IFLab1_004120 (CAS 477570-32-4) is a chemical compound with molecular formula C14H12ClNO3S2 and molecular weight 340.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: IFLab1_004120, methyl 2-(5-chlorothiophene-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, F0882-1144, methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(5-chlorothiophene-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C14H12ClNO3S2 |
|---|---|
| Molecular Weight | 340.99 g/mol |
| LogP | 3.9906 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.99472 |
| Heavy Atoms | 21 |
| Complexity | 719.8727 |
Chemical Identifiers
| CAS Number | 477570-32-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=C(S3)Cl |
Product Overview
IFLab1_004120 (CAS 477570-32-4), with molecular formula C14H12ClNO3S2 and molecular weight 340.99 g/mol. IUPAC: methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of IFLab1_004120
Property Insights of IFLab1_004120
The XLogP value of 3.9906 indicates that IFLab1_004120 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, IFLab1_004120 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_004120 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 IFLab1_004120?
The CAS number of IFLab1_004120 is 477570-32-4.
What is the molecular formula of IFLab1_004120?
The molecular formula of IFLab1_004120 is C14H12ClNO3S2.
What is the molecular weight of IFLab1_004120?
The molecular weight of IFLab1_004120 is 340.99 g/mol.
Where can I buy IFLab1_004120?
You can request a quote for IFLab1_004120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004120?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.