BIM-0000661.P001
TL;DR: BIM-0000661.P001 (CAS 420095-02-9) is a chemical compound with molecular formula C15H18N2O3S and molecular weight 306.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: BIM-0000661.P001, AB00094057-01, 4-[(3-CYANO-6-ETHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)AMINO]-4-OXOBUTANOIC ACID, 4-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid, butanoic acid, 4-[(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-4-oxo-
| Molecular Formula | C15H18N2O3S |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | 2.93798 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.10382 |
| Heavy Atoms | 21 |
| Complexity | 600.7953 |
Chemical Identifiers
| CAS Number | 420095-02-9 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC(=O)O |
Product Overview
BIM-0000661.P001 (CAS 420095-02-9), with molecular formula C15H18N2O3S and molecular weight 306.10 g/mol. IUPAC: 4-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of BIM-0000661.P001
Property Insights of BIM-0000661.P001
The XLogP value of 2.93798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0000661.P001. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0000661.P001. Following Lipinski's Rule of Five, BIM-0000661.P001 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 BIM-0000661.P001?
The CAS number of BIM-0000661.P001 is 420095-02-9.
What is the molecular formula of BIM-0000661.P001?
The molecular formula of BIM-0000661.P001 is C15H18N2O3S.
What is the molecular weight of BIM-0000661.P001?
The molecular weight of BIM-0000661.P001 is 306.10 g/mol.
Where can I buy BIM-0000661.P001?
You can request a quote for BIM-0000661.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0000661.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0000661.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.