A4130/0176099
TL;DR: A4130/0176099 (CAS 879466-33-8) is a chemical compound with molecular formula C22H19N3O5 and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
Also Known As: A4130/0176099, 2-amino-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile, 2-amino-5-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]quinoline-3-carbonitrile, 2-amino-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile, 2-AMINO-5-OXO-4-(3,4,5-TRIMETHOXYPHENYL)-4H,5H,6H-PYRANO[3,2-C]QUINOLINE-3-CARBONITRILE
| Molecular Formula | C22H19N3O5 |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 2.77208 |
| Topological Polar Surface Area | 119.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.13248 |
| Heavy Atoms | 30 |
| Complexity | 1261.1482 |
Chemical Identifiers
| CAS Number | 879466-33-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C(=C(OC3=C2C(=O)NC4=CC=CC=C43)N)C#N |
Product Overview
A4130/0176099 (CAS 879466-33-8), with molecular formula C22H19N3O5 and molecular weight 405.13 g/mol. IUPAC: 2-amino-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile.
Chemical Property Profile of A4130/0176099
Property Insights of A4130/0176099
The XLogP value of 2.77208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4130/0176099. The TPSA of 119.59 Ų falls within the moderate polarity range, balancing permeability and solubility for A4130/0176099. Following Lipinski's Rule of Five, A4130/0176099 has 2 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 A4130/0176099?
The CAS number of A4130/0176099 is 879466-33-8.
What is the molecular formula of A4130/0176099?
The molecular formula of A4130/0176099 is C22H19N3O5.
What is the molecular weight of A4130/0176099?
The molecular weight of A4130/0176099 is 405.13 g/mol.
Where can I buy A4130/0176099?
You can request a quote for A4130/0176099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4130/0176099?
Yes, KEHONG BIO provides custom synthesis services for A4130/0176099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.