AB00674521-01
TL;DR: AB00674521-01 (CAS 636988-95-9) is a chemical compound with molecular formula C24H21N3O5 and molecular weight 431.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: AB00674521-01, 4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(pyridin-3-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one, F1525-0189, (4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 4-(3,4-dimethoxybenzoyl)-3-hydroxy-5-(pyridin-3-yl)-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
| Molecular Formula | C24H21N3O5 |
|---|---|
| Molecular Weight | 431.15 g/mol |
| LogP | 3.1157 |
| Topological Polar Surface Area | 101.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.14813 |
| Heavy Atoms | 32 |
| Complexity | 1178.7538 |
Chemical Identifiers
| CAS Number | 636988-95-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CN=CC=C4)/O)OC |
Product Overview
AB00674521-01 (CAS 636988-95-9), with molecular formula C24H21N3O5 and molecular weight 431.15 g/mol. IUPAC: (4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AB00674521-01
Property Insights of AB00674521-01
The XLogP value of 3.1157 indicates that AB00674521-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00674521-01. Following Lipinski's Rule of Five, AB00674521-01 has 1 hydrogen bond donor(s) and 7 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 AB00674521-01?
The CAS number of AB00674521-01 is 636988-95-9.
What is the molecular formula of AB00674521-01?
The molecular formula of AB00674521-01 is C24H21N3O5.
What is the molecular weight of AB00674521-01?
The molecular weight of AB00674521-01 is 431.15 g/mol.
Where can I buy AB00674521-01?
You can request a quote for AB00674521-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00674521-01?
Yes, KEHONG BIO provides custom synthesis services for AB00674521-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.