AB00681813-01
TL;DR: AB00681813-01 (CAS 853753-69-2) is a chemical compound with molecular formula C23H21ClN4O4 and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
Also Known As: AB00681813-01, AO-022/43389915, 4-(3-chloro-4-methoxybenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione, 1-(3-(1H-imidazol-1-yl)propyl)-4-(3-chloro-4-methoxybenzoyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C23H21ClN4O4 |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 3.4521 |
| Topological Polar Surface Area | 97.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.12512 |
| Heavy Atoms | 32 |
| Complexity | 1162.0042 |
Chemical Identifiers
| CAS Number | 853753-69-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=NC=C4)/O)Cl |
Product Overview
AB00681813-01 (CAS 853753-69-2), with molecular formula C23H21ClN4O4 and molecular weight 452.13 g/mol. IUPAC: (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione.
Chemical Property Profile of AB00681813-01
Property Insights of AB00681813-01
The XLogP value of 3.4521 indicates that AB00681813-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681813-01. Following Lipinski's Rule of Five, AB00681813-01 has 1 hydrogen bond donor(s) and 6 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 AB00681813-01?
The CAS number of AB00681813-01 is 853753-69-2.
What is the molecular formula of AB00681813-01?
The molecular formula of AB00681813-01 is C23H21ClN4O4.
What is the molecular weight of AB00681813-01?
The molecular weight of AB00681813-01 is 452.13 g/mol.
Where can I buy AB00681813-01?
You can request a quote for AB00681813-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681813-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681813-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.