A1120/0052538
TL;DR: A1120/0052538 (CAS 309926-76-9) is a chemical compound with molecular formula C17H16FNO4 and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-(3-fluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
Also Known As: A1120/0052538, methyl 2-amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, methyl 2-amino-4-(3-fluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate, methyl 2-amino-4-(3-fluorophenyl)-5-oxo-4H-6,7,8-trihydrochromene-3-carboxylat e
| Molecular Formula | C17H16FNO4 |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 2.2899 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.10632 |
| Heavy Atoms | 23 |
| Complexity | 750.7152 |
Chemical Identifiers
| CAS Number | 309926-76-9 |
|---|---|
| SMILES | COC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)F)C(=O)CCC2)N |
Product Overview
A1120/0052538 (CAS 309926-76-9), with molecular formula C17H16FNO4 and molecular weight 317.11 g/mol. IUPAC: methyl 2-amino-4-(3-fluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate.
Chemical Property Profile of A1120/0052538
Property Insights of A1120/0052538
The XLogP value of 2.2899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1120/0052538. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for A1120/0052538. Following Lipinski's Rule of Five, A1120/0052538 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 A1120/0052538?
The CAS number of A1120/0052538 is 309926-76-9.
What is the molecular formula of A1120/0052538?
The molecular formula of A1120/0052538 is C17H16FNO4.
What is the molecular weight of A1120/0052538?
The molecular weight of A1120/0052538 is 317.11 g/mol.
Where can I buy A1120/0052538?
You can request a quote for A1120/0052538 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1120/0052538?
Yes, KEHONG BIO provides custom synthesis services for A1120/0052538 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.