AB00078865-01
TL;DR: AB00078865-01 (CAS 376613-84-2) is a chemical compound with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: AB00078865-01, 2-amino-7-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-7-methyl-4-(4-(methylthio)phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-7-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C18H18N2O2S |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 3.46928 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.1089 |
| Heavy Atoms | 23 |
| Complexity | 756.22144 |
Chemical Identifiers
| CAS Number | 376613-84-2 |
|---|---|
| SMILES | CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)SC)C(=O)C1 |
Product Overview
AB00078865-01 (CAS 376613-84-2), with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol. IUPAC: 2-amino-7-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of AB00078865-01
Property Insights of AB00078865-01
The XLogP value of 3.46928 indicates that AB00078865-01 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 AB00078865-01. Following Lipinski's Rule of Five, AB00078865-01 has 1 hydrogen bond donor(s) and 5 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 AB00078865-01?
The CAS number of AB00078865-01 is 376613-84-2.
What is the molecular formula of AB00078865-01?
The molecular formula of AB00078865-01 is C18H18N2O2S.
What is the molecular weight of AB00078865-01?
The molecular weight of AB00078865-01 is 326.11 g/mol.
Where can I buy AB00078865-01?
You can request a quote for AB00078865-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00078865-01?
Yes, KEHONG BIO provides custom synthesis services for AB00078865-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.