AB00802767-01
TL;DR: AB00802767-01 (CAS 609312-92-7) is a chemical compound with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-3-[hydroxy-(3-methoxyphenyl)methylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate
Also Known As: AB00802767-01, methyl 4-(4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-3-[hydroxy-(3-methoxyphenyl)methylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate, methyl 4-{4-hydroxy-3-[(3-methoxyphenyl)carbonyl]-5-oxo-1-(3-pyridylmethyl)-3- pyrrolin-2-yl}benzoate
| Molecular Formula | C26H22N2O6 |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 3.4987 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.1478 |
| Heavy Atoms | 34 |
| Complexity | 1267.963 |
Chemical Identifiers
| CAS Number | 609312-92-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(=O)OC)/O |
Product Overview
AB00802767-01 (CAS 609312-92-7), with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol. IUPAC: methyl 4-[(3E)-3-[hydroxy-(3-methoxyphenyl)methylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate.
Chemical Property Profile of AB00802767-01
Property Insights of AB00802767-01
The XLogP value of 3.4987 indicates that AB00802767-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00802767-01. Following Lipinski's Rule of Five, AB00802767-01 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 AB00802767-01?
The CAS number of AB00802767-01 is 609312-92-7.
What is the molecular formula of AB00802767-01?
The molecular formula of AB00802767-01 is C26H22N2O6.
What is the molecular weight of AB00802767-01?
The molecular weight of AB00802767-01 is 458.15 g/mol.
Where can I buy AB00802767-01?
You can request a quote for AB00802767-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00802767-01?
Yes, KEHONG BIO provides custom synthesis services for AB00802767-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.