AS-871/41080990
TL;DR: AS-871/41080990 (CAS 468747-23-1) is a chemical compound with molecular formula C16H20N2O5 and molecular weight 320.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
Also Known As: AS-871/41080990, F3145-3436, 4-{2-[(2-isopropyl-5-methylphenoxy)acetyl]hydrazino}-4-oxo-2-butenoic acid, (E)-4-(2-(2-(2-isopropyl-5-methylphenoxy)acetyl)hydrazinyl)-4-oxobut-2-enoic acid, (E)-4-[2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
| Molecular Formula | C16H20N2O5 |
|---|---|
| Molecular Weight | 320.14 g/mol |
| LogP | 1.28542 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.1372 |
| Heavy Atoms | 23 |
| Complexity | 622.89667 |
Chemical Identifiers
| CAS Number | 468747-23-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=O)/C=C/C(=O)O |
Product Overview
AS-871/41080990 (CAS 468747-23-1), with molecular formula C16H20N2O5 and molecular weight 320.14 g/mol. IUPAC: (E)-4-[2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid.
Chemical Property Profile of AS-871/41080990
Property Insights of AS-871/41080990
The XLogP value of 1.28542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/41080990. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/41080990. Following Lipinski's Rule of Five, AS-871/41080990 has 3 hydrogen bond donor(s) and 4 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-871/41080990?
The CAS number of AS-871/41080990 is 468747-23-1.
What is the molecular formula of AS-871/41080990?
The molecular formula of AS-871/41080990 is C16H20N2O5.
What is the molecular weight of AS-871/41080990?
The molecular weight of AS-871/41080990 is 320.14 g/mol.
Where can I buy AS-871/41080990?
You can request a quote for AS-871/41080990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41080990?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41080990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.