AB00078558-01
TL;DR: AB00078558-01 (CAS 378201-18-4) is a chemical compound with molecular formula C19H20N2O4 and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2,4-dimethoxy-3-methylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: AB00078558-01, 2-amino-4-(2,4-dimethoxy-3-methylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-4-(2,4-dimethoxy-3-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C19H20N2O4 |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 2.827 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.1423 |
| Heavy Atoms | 25 |
| Complexity | 845.71545 |
Chemical Identifiers
| CAS Number | 378201-18-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1OC)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OC |
Product Overview
AB00078558-01 (CAS 378201-18-4), with molecular formula C19H20N2O4 and molecular weight 340.14 g/mol. IUPAC: 2-amino-4-(2,4-dimethoxy-3-methylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of AB00078558-01
Property Insights of AB00078558-01
The XLogP value of 2.827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00078558-01. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00078558-01. Following Lipinski's Rule of Five, AB00078558-01 has 1 hydrogen bond donor(s) and 6 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 AB00078558-01?
The CAS number of AB00078558-01 is 378201-18-4.
What is the molecular formula of AB00078558-01?
The molecular formula of AB00078558-01 is C19H20N2O4.
What is the molecular weight of AB00078558-01?
The molecular weight of AB00078558-01 is 340.14 g/mol.
Where can I buy AB00078558-01?
You can request a quote for AB00078558-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00078558-01?
Yes, KEHONG BIO provides custom synthesis services for AB00078558-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.