AB00683542-01
TL;DR: AB00683542-01 (CAS 874396-97-1) is a chemical compound with molecular formula C23H15FN2O6 and molecular weight 434.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: AB00683542-01, F3226-2839, methyl 4-(7-fluoro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate, methyl 4-[7-fluoro-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-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
| Molecular Formula | C23H15FN2O6 |
|---|---|
| Molecular Weight | 434.09 g/mol |
| LogP | 3.76492 |
| Topological Polar Surface Area | 102.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.0914 |
| Heavy Atoms | 32 |
| Complexity | 1453.8707 |
Chemical Identifiers
| CAS Number | 874396-97-1 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(C3=C(C2=O)OC4=C(C3=O)C=C(C=C4)F)C5=CC=C(C=C5)C(=O)OC |
Product Overview
AB00683542-01 (CAS 874396-97-1), with molecular formula C23H15FN2O6 and molecular weight 434.09 g/mol. IUPAC: methyl 4-[7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of AB00683542-01
Property Insights of AB00683542-01
The XLogP value of 3.76492 indicates that AB00683542-01 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 AB00683542-01. Following Lipinski's Rule of Five, AB00683542-01 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 AB00683542-01?
The CAS number of AB00683542-01 is 874396-97-1.
What is the molecular formula of AB00683542-01?
The molecular formula of AB00683542-01 is C23H15FN2O6.
What is the molecular weight of AB00683542-01?
The molecular weight of AB00683542-01 is 434.09 g/mol.
Where can I buy AB00683542-01?
You can request a quote for AB00683542-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00683542-01?
Yes, KEHONG BIO provides custom synthesis services for AB00683542-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.