3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one
TL;DR: 3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one (CAS 313701-57-4) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-amino-2-methylphenyl)chromen-2-one
Also Known As: 3-(4-amino-2-methylphenyl)-2H-chromen-2-one, 3-(4-amino-2-methylphenyl)chromen-2-one, 3-(4-Amino-2-methyl-phenyl)-chromen-2-one, BAS 02723667, 3-(4-amino-2-methyl-phenyl)chromen-2-one
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 313701-57-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N)C2=CC3=CC=CC=C3OC2=O |
| InChIKey | QOOIOAQDDXPZJW-UHFFFAOYSA-N |
Product Overview
3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one (CAS 313701-57-4), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: 3-(4-amino-2-methylphenyl)chromen-2-one.
Chemical Property Profile of 3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one
Property Insights of 3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one
The XLogP value of 3.2 indicates that 3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, 3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one has 1 hydrogen bond donor(s) and 3 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-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one?
The CAS number of 3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one is 313701-57-4.
What is the molecular formula of 3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one?
The molecular formula of 3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one is C16H13NO2.
What is the molecular weight of 3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one?
The molecular weight of 3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one is 251.09 g/mol.
Where can I buy 3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one?
You can request a quote for 3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-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-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Amino-2-methylphenyl)-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.