AB00078966-01
TL;DR: AB00078966-01 (CAS 5280-75-1) is a chemical compound with molecular formula C17H15ClN2O2 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: AB00078966-01, 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-Amino-4-(4-chlorophenyl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
| Molecular Formula | C17H15ClN2O2 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 3.40078 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.0822 |
| Heavy Atoms | 22 |
| Complexity | 740.9176 |
Chemical Identifiers
| CAS Number | 5280-75-1 |
|---|---|
| SMILES | CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)C(=O)C1 |
Product Overview
AB00078966-01 (CAS 5280-75-1), with molecular formula C17H15ClN2O2 and molecular weight 314.08 g/mol. IUPAC: 2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of AB00078966-01
Property Insights of AB00078966-01
The XLogP value of 3.40078 indicates that AB00078966-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00078966-01. Following Lipinski's Rule of Five, AB00078966-01 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 AB00078966-01?
The CAS number of AB00078966-01 is 5280-75-1.
What is the molecular formula of AB00078966-01?
The molecular formula of AB00078966-01 is C17H15ClN2O2.
What is the molecular weight of AB00078966-01?
The molecular weight of AB00078966-01 is 314.08 g/mol.
Where can I buy AB00078966-01?
You can request a quote for AB00078966-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00078966-01?
Yes, KEHONG BIO provides custom synthesis services for AB00078966-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.