AB00686872-01
TL;DR: AB00686872-01 (CAS 869078-79-5) is a chemical compound with molecular formula C22H16O7 and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] furan-2-carboxylate
Also Known As: AB00686872-01, (Z)-2-methoxy-4-((6-methoxy-3-oxobenzofuran-2(3H)-ylidene)methyl)phenyl furan-2-carboxylate, 2-methoxy-4-[(6-methoxy-3-oxobenzo[d]furan-2-ylidene)methyl]phenyl furan-2-car boxylate, [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] furan-2-carboxylate, 2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl furan-2-carboxylate
| Molecular Formula | C22H16O7 |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 4.1322 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.0896 |
| Heavy Atoms | 29 |
| Complexity | 1110.1943 |
Chemical Identifiers
| CAS Number | 869078-79-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC=CO4)OC)/O2 |
Product Overview
AB00686872-01 (CAS 869078-79-5), with molecular formula C22H16O7 and molecular weight 392.09 g/mol. IUPAC: [2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] furan-2-carboxylate.
Chemical Property Profile of AB00686872-01
Property Insights of AB00686872-01
The XLogP value of 4.1322 indicates that AB00686872-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686872-01. Following Lipinski's Rule of Five, AB00686872-01 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 AB00686872-01?
The CAS number of AB00686872-01 is 869078-79-5.
What is the molecular formula of AB00686872-01?
The molecular formula of AB00686872-01 is C22H16O7.
What is the molecular weight of AB00686872-01?
The molecular weight of AB00686872-01 is 392.09 g/mol.
Where can I buy AB00686872-01?
You can request a quote for AB00686872-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686872-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686872-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.