IFLab1_005601
TL;DR: IFLab1_005601 (CAS 864857-95-4) is a chemical compound with molecular formula C16H15ClN2O4S2 and molecular weight 398.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-acetyl-2-[(5-chlorothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: IFLab1_005601, IDI1_011004, F1298-0719, methyl 6-acetyl-2-(5-chlorothiophene-2-amido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate, methyl 6-acetyl-2-(5-chlorothiophene-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C16H15ClN2O4S2 |
|---|---|
| Molecular Weight | 398.02 g/mol |
| LogP | 3.4065 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.01617 |
| Heavy Atoms | 25 |
| Complexity | 858.4371 |
Chemical Identifiers
| CAS Number | 864857-95-4 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(S3)Cl |
Product Overview
IFLab1_005601 (CAS 864857-95-4), with molecular formula C16H15ClN2O4S2 and molecular weight 398.02 g/mol. IUPAC: methyl 6-acetyl-2-[(5-chlorothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of IFLab1_005601
Property Insights of IFLab1_005601
The XLogP value of 3.4065 indicates that IFLab1_005601 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 IFLab1_005601. Following Lipinski's Rule of Five, IFLab1_005601 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_005601?
The CAS number of IFLab1_005601 is 864857-95-4.
What is the molecular formula of IFLab1_005601?
The molecular formula of IFLab1_005601 is C16H15ClN2O4S2.
What is the molecular weight of IFLab1_005601?
The molecular weight of IFLab1_005601 is 398.02 g/mol.
Where can I buy IFLab1_005601?
You can request a quote for IFLab1_005601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005601?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.