IFLab1_005920
TL;DR: IFLab1_005920 (CAS 865593-58-4) is a chemical compound with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-4-oxobut-2-enoic acid
Also Known As: IFLab1_005920, IDI1_011323, F1450-0200, (2Z)-3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3-methylprop-2-enoic acid, (Z)-4-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3-methyl-4-oxobut-2-enoic acid
| Molecular Formula | C14H14N2O3S |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 2.46798 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.0725 |
| Heavy Atoms | 20 |
| Complexity | 637.5796 |
Chemical Identifiers
| CAS Number | 865593-58-4 |
|---|---|
| SMILES | C/C(=C/C(=O)O)/C(=O)NC1=C(C2=C(S1)CCCC2)C#N |
Product Overview
IFLab1_005920 (CAS 865593-58-4), with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol. IUPAC: (Z)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-4-oxobut-2-enoic acid.
Chemical Property Profile of IFLab1_005920
Property Insights of IFLab1_005920
The XLogP value of 2.46798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005920. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005920. Following Lipinski's Rule of Five, IFLab1_005920 has 2 hydrogen bond donor(s) and 4 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_005920?
The CAS number of IFLab1_005920 is 865593-58-4.
What is the molecular formula of IFLab1_005920?
The molecular formula of IFLab1_005920 is C14H14N2O3S.
What is the molecular weight of IFLab1_005920?
The molecular weight of IFLab1_005920 is 290.07 g/mol.
Where can I buy IFLab1_005920?
You can request a quote for IFLab1_005920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005920?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.