3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one
TL;DR: 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one (CAS 488123-27-9) is a chemical compound with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-3-nitro-4a,8a-dihydrochromen-2-one
Also Known As: 4-anilino-3-nitro-4a,8a-dihydrochromen-2-one, 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one
| Molecular Formula | C15H12N2O4 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 2.2544 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0797 |
| Heavy Atoms | 21 |
| Complexity | 676.1738 |
Chemical Identifiers
| CAS Number | 488123-27-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C(=O)OC3C2C=CC=C3)[N+](=O)[O-] |
Product Overview
3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one (CAS 488123-27-9), with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol. IUPAC: 4-anilino-3-nitro-4a,8a-dihydrochromen-2-one.
Chemical Property Profile of 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one
Property Insights of 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one
The XLogP value of 2.2544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one 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 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one?
The CAS number of 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one is 488123-27-9.
What is the molecular formula of 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one?
The molecular formula of 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one is C15H12N2O4.
What is the molecular weight of 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one?
The molecular weight of 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one is 284.08 g/mol.
Where can I buy 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one?
You can request a quote for 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-4-(phenylamino)-4a,8a-dihydro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.