AB00683544-01
TL;DR: AB00683544-01 (CAS 874397-22-5) is a chemical compound with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: AB00683544-01, F3226-2860, methyl 4-(7-ethyl-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate, methyl 4-[7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
| Molecular Formula | C25H20N2O6 |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 4.18822 |
| Topological Polar Surface Area | 102.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.13214 |
| Heavy Atoms | 33 |
| Complexity | 1464.7814 |
Chemical Identifiers
| CAS Number | 874397-22-5 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)OC3=C(C2=O)C(N(C3=O)C4=NOC(=C4)C)C5=CC=C(C=C5)C(=O)OC |
Product Overview
AB00683544-01 (CAS 874397-22-5), with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol. IUPAC: methyl 4-[7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of AB00683544-01
Property Insights of AB00683544-01
The XLogP value of 4.18822 indicates that AB00683544-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00683544-01. Following Lipinski's Rule of Five, AB00683544-01 has 0 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 AB00683544-01?
The CAS number of AB00683544-01 is 874397-22-5.
What is the molecular formula of AB00683544-01?
The molecular formula of AB00683544-01 is C25H20N2O6.
What is the molecular weight of AB00683544-01?
The molecular weight of AB00683544-01 is 444.13 g/mol.
Where can I buy AB00683544-01?
You can request a quote for AB00683544-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00683544-01?
Yes, KEHONG BIO provides custom synthesis services for AB00683544-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.