BAS 01402994
TL;DR: BAS 01402994 (CAS 5982-11-6) is a chemical compound with molecular formula C22H21NO6 and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[hydroxy(phenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
Also Known As: BAS 01402994, 4-[(3E)-3-(hydroxy-phenyl-methylidene)-2-(4-methoxyphenyl)-4,5-dioxo-pyrrolidin-1-yl]butanoic acid, 4-[3-[hydroxy(phenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid
| Molecular Formula | C22H21NO6 |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 2.9817 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.1369 |
| Heavy Atoms | 29 |
| Complexity | 949.0276 |
Chemical Identifiers
| CAS Number | 5982-11-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CCCC(=O)O |
Product Overview
BAS 01402994 (CAS 5982-11-6), with molecular formula C22H21NO6 and molecular weight 395.14 g/mol. IUPAC: 4-[3-[hydroxy(phenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid.
Chemical Property Profile of BAS 01402994
Property Insights of BAS 01402994
The XLogP value of 2.9817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01402994. The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01402994. Following Lipinski's Rule of Five, BAS 01402994 has 2 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 BAS 01402994?
The CAS number of BAS 01402994 is 5982-11-6.
What is the molecular formula of BAS 01402994?
The molecular formula of BAS 01402994 is C22H21NO6.
What is the molecular weight of BAS 01402994?
The molecular weight of BAS 01402994 is 395.14 g/mol.
Where can I buy BAS 01402994?
You can request a quote for BAS 01402994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01402994?
Yes, KEHONG BIO provides custom synthesis services for BAS 01402994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.