A3472/0147210
TL;DR: A3472/0147210 (CAS 592536-92-0) is a chemical compound with molecular formula C17H16N2O6 and molecular weight 344.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
Also Known As: A3472/0147210, methyl 2-amino-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, methyl 2-amino-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
| Molecular Formula | C17H16N2O6 |
|---|---|
| Molecular Weight | 344.10 g/mol |
| LogP | 2.059 |
| Topological Polar Surface Area | 121.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.10083 |
| Heavy Atoms | 25 |
| Complexity | 839.29474 |
Chemical Identifiers
| CAS Number | 592536-92-0 |
|---|---|
| SMILES | COC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC2)N |
Product Overview
A3472/0147210 (CAS 592536-92-0), with molecular formula C17H16N2O6 and molecular weight 344.10 g/mol. IUPAC: methyl 2-amino-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate.
Chemical Property Profile of A3472/0147210
Property Insights of A3472/0147210
The XLogP value of 2.059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3472/0147210. The TPSA of 121.76 Ų falls within the moderate polarity range, balancing permeability and solubility for A3472/0147210. Following Lipinski's Rule of Five, A3472/0147210 has 1 hydrogen bond donor(s) and 7 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 A3472/0147210?
The CAS number of A3472/0147210 is 592536-92-0.
What is the molecular formula of A3472/0147210?
The molecular formula of A3472/0147210 is C17H16N2O6.
What is the molecular weight of A3472/0147210?
The molecular weight of A3472/0147210 is 344.10 g/mol.
Where can I buy A3472/0147210?
You can request a quote for A3472/0147210 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3472/0147210?
Yes, KEHONG BIO provides custom synthesis services for A3472/0147210 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.