ChemDiv1_002312
TL;DR: ChemDiv1_002312 (CAS 313379-95-2) is a chemical compound with molecular formula C19H10ClN3O5 and molecular weight 395.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
Also Known As: ChemDiv1_002312, 2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile, A1172/0054465, 2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile, 2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitri le
| Molecular Formula | C19H10ClN3O5 |
|---|---|
| Molecular Weight | 395.03 g/mol |
| LogP | 3.57278 |
| Topological Polar Surface Area | 132.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.03088 |
| Heavy Atoms | 28 |
| Complexity | 1288.9492 |
Chemical Identifiers
| CAS Number | 313379-95-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C(C(=C(O3)N)C#N)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(=O)O2 |
Product Overview
ChemDiv1_002312 (CAS 313379-95-2), with molecular formula C19H10ClN3O5 and molecular weight 395.03 g/mol. IUPAC: 2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile.
Chemical Property Profile of ChemDiv1_002312
Property Insights of ChemDiv1_002312
The XLogP value of 3.57278 indicates that ChemDiv1_002312 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002312. Following Lipinski's Rule of Five, ChemDiv1_002312 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 ChemDiv1_002312?
The CAS number of ChemDiv1_002312 is 313379-95-2.
What is the molecular formula of ChemDiv1_002312?
The molecular formula of ChemDiv1_002312 is C19H10ClN3O5.
What is the molecular weight of ChemDiv1_002312?
The molecular weight of ChemDiv1_002312 is 395.03 g/mol.
Where can I buy ChemDiv1_002312?
You can request a quote for ChemDiv1_002312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002312?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.