AS-871/42681531
TL;DR: AS-871/42681531 (CAS 879929-57-4) is a chemical compound with molecular formula C27H20FNO7 and molecular weight 489.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethyl)-1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
Also Known As: AS-871/42681531, 2-(1,3-benzodioxol-5-ylmethyl)-1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 2-(1,3-benzodioxol-5-ylmethyl)-1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione, 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
| Molecular Formula | C27H20FNO7 |
|---|---|
| Molecular Weight | 489.12 g/mol |
| LogP | 4.5105 |
| Topological Polar Surface Area | 98.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.12238 |
| Heavy Atoms | 36 |
| Complexity | 1595.5953 |
Chemical Identifiers
| CAS Number | 879929-57-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)OC6=C(C3=O)C=C(C=C6)F)O |
Product Overview
AS-871/42681531 (CAS 879929-57-4), with molecular formula C27H20FNO7 and molecular weight 489.12 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethyl)-1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
Chemical Property Profile of AS-871/42681531
Property Insights of AS-871/42681531
The XLogP value of 4.5105 indicates that AS-871/42681531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42681531. Following Lipinski's Rule of Five, AS-871/42681531 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 AS-871/42681531?
The CAS number of AS-871/42681531 is 879929-57-4.
What is the molecular formula of AS-871/42681531?
The molecular formula of AS-871/42681531 is C27H20FNO7.
What is the molecular weight of AS-871/42681531?
The molecular weight of AS-871/42681531 is 489.12 g/mol.
Where can I buy AS-871/42681531?
You can request a quote for AS-871/42681531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42681531?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42681531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.