AS-871/42681481
TL;DR: AS-871/42681481 (CAS 708252-00-0) is a chemical compound with molecular formula C26H17ClFNO5 and molecular weight 477.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-[(2-chlorophenyl)methyl]-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: AS-871/42681481, methyl 4-[2-(2-chlorobenzyl)-7-fluoro-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[2-[(2-chlorophenyl)methyl]-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
| Molecular Formula | C26H17ClFNO5 |
|---|---|
| Molecular Weight | 477.08 g/mol |
| LogP | 5.1175 |
| Topological Polar Surface Area | 76.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 477.07794 |
| Heavy Atoms | 34 |
| Complexity | 1512.4077 |
Chemical Identifiers
| CAS Number | 708252-00-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2CC4=CC=CC=C4Cl)OC5=C(C3=O)C=C(C=C5)F |
Product Overview
AS-871/42681481 (CAS 708252-00-0), with molecular formula C26H17ClFNO5 and molecular weight 477.08 g/mol. IUPAC: methyl 4-[2-[(2-chlorophenyl)methyl]-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of AS-871/42681481
Property Insights of AS-871/42681481
The XLogP value of 5.1175 indicates that AS-871/42681481 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42681481. Following Lipinski's Rule of Five, AS-871/42681481 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AS-871/42681481?
The CAS number of AS-871/42681481 is 708252-00-0.
What is the molecular formula of AS-871/42681481?
The molecular formula of AS-871/42681481 is C26H17ClFNO5.
What is the molecular weight of AS-871/42681481?
The molecular weight of AS-871/42681481 is 477.08 g/mol.
Where can I buy AS-871/42681481?
You can request a quote for AS-871/42681481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42681481?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42681481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.