AB00078511-01
TL;DR: AB00078511-01 (CAS 311333-35-4) is a chemical compound with molecular formula C16H10F2N2O3 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2,4-difluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
Also Known As: AB00078511-01, A1170/0054426, 2-amino-4-(2,4-difluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-4-(2,4-difluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile, 2-amino-4-(2,4-difluorophenyl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile
| Molecular Formula | C16H10F2N2O3 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 2.4446 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.06595 |
| Heavy Atoms | 23 |
| Complexity | 941.31714 |
Chemical Identifiers
| CAS Number | 311333-35-4 |
|---|---|
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C=C(C=C3)F)F)C(=O)O1 |
Product Overview
AB00078511-01 (CAS 311333-35-4), with molecular formula C16H10F2N2O3 and molecular weight 316.07 g/mol. IUPAC: 2-amino-4-(2,4-difluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.
Chemical Property Profile of AB00078511-01
Property Insights of AB00078511-01
The XLogP value of 2.4446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00078511-01. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00078511-01. Following Lipinski's Rule of Five, AB00078511-01 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 AB00078511-01?
The CAS number of AB00078511-01 is 311333-35-4.
What is the molecular formula of AB00078511-01?
The molecular formula of AB00078511-01 is C16H10F2N2O3.
What is the molecular weight of AB00078511-01?
The molecular weight of AB00078511-01 is 316.07 g/mol.
Where can I buy AB00078511-01?
You can request a quote for AB00078511-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00078511-01?
Yes, KEHONG BIO provides custom synthesis services for AB00078511-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.