![2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one structure](/static/products/5857/5857-93-2.webp)
2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
TL;DR: 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one (CAS 5857-93-2) is a chemical compound with molecular formula C19H16ClNO4 and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloroanilino)-phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
Also Known As: Benzenamine,4-bromo-N,N-dibutyl, 2-[(3-chloroanilino)-phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one, 2-[(3-chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one, 2-{[(3-chlorophenyl)amino](phenyl)methyl}-3-hydroxy-6-(hydroxymethyl)-4h-pyran-4-one, 2-[(3-Chloroanilino)(phenyl)methyl]-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
| Molecular Formula | C19H16ClNO4 |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.07678 |
| Heavy Atoms | 25 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 5857-93-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC(=CC=C3)Cl |
| InChIKey | DFLHKQWEXZZUEI-UHFFFAOYSA-N |
Product Overview
2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one (CAS 5857-93-2), with molecular formula C19H16ClNO4 and molecular weight 357.08 g/mol. IUPAC: 2-[(3-chloroanilino)-phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one.
Chemical Property Profile of 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
Property Insights of 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one. Following Lipinski's Rule of Five, 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one has 3 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 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one?
The CAS number of 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one is 5857-93-2.
What is the molecular formula of 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one?
The molecular formula of 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one is C19H16ClNO4.
What is the molecular weight of 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one?
The molecular weight of 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one is 357.08 g/mol.
Where can I buy 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one?
You can request a quote for 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Chloroanilino)phenylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.