BAS 00867404
TL;DR: BAS 00867404 (CAS 317342-35-1) is a chemical compound with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid
Also Known As: BAS 00867404, A1986/0083494, (2E)-4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)(4-methoxybenzyl)amino]-4-oxobut-2-enoic acid, (E)-4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid, (E)-4-((2,5-dioxo-1-phenylpyrrolidin-3-yl)(4-methoxybenzyl)amino)-4-oxobut-2-enoic acid
| Molecular Formula | C22H20N2O6 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 1.9967 |
| Topological Polar Surface Area | 104.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.13214 |
| Heavy Atoms | 30 |
| Complexity | 984.44714 |
Chemical Identifiers
| CAS Number | 317342-35-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN(C2CC(=O)N(C2=O)C3=CC=CC=C3)C(=O)/C=C/C(=O)O |
Product Overview
BAS 00867404 (CAS 317342-35-1), with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol. IUPAC: (E)-4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of BAS 00867404
Property Insights of BAS 00867404
The XLogP value of 1.9967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00867404. The TPSA of 104.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00867404. Following Lipinski's Rule of Five, BAS 00867404 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 BAS 00867404?
The CAS number of BAS 00867404 is 317342-35-1.
What is the molecular formula of BAS 00867404?
The molecular formula of BAS 00867404 is C22H20N2O6.
What is the molecular weight of BAS 00867404?
The molecular weight of BAS 00867404 is 408.13 g/mol.
Where can I buy BAS 00867404?
You can request a quote for BAS 00867404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00867404?
Yes, KEHONG BIO provides custom synthesis services for BAS 00867404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.