AS-871/42681085
TL;DR: AS-871/42681085 (CAS 708281-61-2) is a chemical compound with molecular formula C28H22N2O7 and molecular weight 498.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(1,3-benzodioxol-5-ylmethyl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
Also Known As: AS-871/42681085, 2-{4-[2-(1,3-benzodioxol-5-ylmethyl)-7-methyl-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]phenoxy}acetamide, 2-(4-{2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}phenoxy)acetamide, 2-[4-[2-(1,3-benzodioxol-5-ylmethyl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
| Molecular Formula | C28H22N2O7 |
|---|---|
| Molecular Weight | 498.14 g/mol |
| LogP | 3.43962 |
| Topological Polar Surface Area | 121.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.1427 |
| Heavy Atoms | 37 |
| Complexity | 1624.651 |
Chemical Identifiers
| CAS Number | 708281-61-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC3=C(C2=O)C(N(C3=O)CC4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)OCC(=O)N |
Product Overview
AS-871/42681085 (CAS 708281-61-2), with molecular formula C28H22N2O7 and molecular weight 498.14 g/mol. IUPAC: 2-[4-[2-(1,3-benzodioxol-5-ylmethyl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.
Chemical Property Profile of AS-871/42681085
Property Insights of AS-871/42681085
The XLogP value of 3.43962 indicates that AS-871/42681085 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42681085. Following Lipinski's Rule of Five, AS-871/42681085 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-871/42681085?
The CAS number of AS-871/42681085 is 708281-61-2.
What is the molecular formula of AS-871/42681085?
The molecular formula of AS-871/42681085 is C28H22N2O7.
What is the molecular weight of AS-871/42681085?
The molecular weight of AS-871/42681085 is 498.14 g/mol.
Where can I buy AS-871/42681085?
You can request a quote for AS-871/42681085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42681085?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42681085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.