AB00719061-01
TL;DR: AB00719061-01 (CAS 560997-47-9) is a chemical compound with molecular formula C22H22F2N2O3 and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-N-(2,6-diethylphenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
Also Known As: AB00719061-01, (E)-2-cyano-N-(2,6-diethylphenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide, 2-cyano-N-(2,6-diethylphenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
| Molecular Formula | C22H22F2N2O3 |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 4.96708 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.15985 |
| Heavy Atoms | 29 |
| Complexity | 927.30896 |
Chemical Identifiers
| CAS Number | 560997-47-9 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)/C(=C/C2=CC(=C(C=C2)OC(F)F)OC)/C#N |
Product Overview
AB00719061-01 (CAS 560997-47-9), with molecular formula C22H22F2N2O3 and molecular weight 400.16 g/mol. IUPAC: (E)-2-cyano-N-(2,6-diethylphenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide.
Chemical Property Profile of AB00719061-01
Property Insights of AB00719061-01
The XLogP value of 4.96708 indicates that AB00719061-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00719061-01. Following Lipinski's Rule of Five, AB00719061-01 has 1 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 AB00719061-01?
The CAS number of AB00719061-01 is 560997-47-9.
What is the molecular formula of AB00719061-01?
The molecular formula of AB00719061-01 is C22H22F2N2O3.
What is the molecular weight of AB00719061-01?
The molecular weight of AB00719061-01 is 400.16 g/mol.
Where can I buy AB00719061-01?
You can request a quote for AB00719061-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00719061-01?
Yes, KEHONG BIO provides custom synthesis services for AB00719061-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.