BAS 00702641
TL;DR: BAS 00702641 (CAS 5567-36-2) is a chemical compound with molecular formula C22H20N2O5 and molecular weight 392.14 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)-(2-phenylethyl)amino]-4-oxobut-2-enoic acid
Also Known As: BAS 00702641, AB00089569-01, 3-[(2,5-Dioxo-1-phenyl-pyrrolidin-3-yl)-phenethyl-carbamoyl]-acrylic acid, 4-[(2,5-dioxo-1-phenyl-3-pyrrolidinyl)(2-phenylethyl)amino]-4-oxo-2-butenoic acid, (2E)-4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)(2-phenylethyl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C22H20N2O5 |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 2.0306 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.1372 |
| Heavy Atoms | 29 |
| Complexity | 940.1897 |
Chemical Identifiers
| CAS Number | 5567-36-2 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=CC=C2)N(CCC3=CC=CC=C3)C(=O)/C=C/C(=O)O |
Product Overview
BAS 00702641 (CAS 5567-36-2), with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol. IUPAC: (E)-4-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)-(2-phenylethyl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of BAS 00702641
Property Insights of BAS 00702641
The XLogP value of 2.0306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00702641. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00702641. Following Lipinski's Rule of Five, BAS 00702641 has 1 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 BAS 00702641?
The CAS number of BAS 00702641 is 5567-36-2.
What is the molecular formula of BAS 00702641?
The molecular formula of BAS 00702641 is C22H20N2O5.
What is the molecular weight of BAS 00702641?
The molecular weight of BAS 00702641 is 392.14 g/mol.
Where can I buy BAS 00702641?
You can request a quote for BAS 00702641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00702641?
Yes, KEHONG BIO provides custom synthesis services for BAS 00702641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.