p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate
TL;DR: p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate (CAS 3894-08-4) is a chemical compound with molecular formula C21H25NO3 and molecular weight 339.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-2-(2-phenylethylcarbamoyl)-6-propan-2-ylphenyl] acetate
Also Known As: 3-Hydroxy-N-phenethyl-p-cymene-2-carboxamide acetate, p-CYMENE-2-CARBOXAMIDE, 3-HYDROXY-N-PHENETHYL-, ACETATE, N-Phenethyl-3-acetoxy-p-cymene-2-carboxamide, 3-methyl-2-[(2-phenylethyl)carbamoyl]-6-(propan-2-yl)phenyl acetate, [3-methyl-2-(phenethylcarbamoyl)-6-propan-2-ylphenyl] acetate
| Molecular Formula | C21H25NO3 |
|---|---|
| Molecular Weight | 339.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.18344 |
| Heavy Atoms | 25 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 3894-08-4 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OC(=O)C)C(=O)NCCC2=CC=CC=C2 |
| InChIKey | MPHSELCRHZKAAK-UHFFFAOYSA-N |
Product Overview
p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate (CAS 3894-08-4), with molecular formula C21H25NO3 and molecular weight 339.18 g/mol. IUPAC: [3-methyl-2-(2-phenylethylcarbamoyl)-6-propan-2-ylphenyl] acetate.
Chemical Property Profile of p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate
Property Insights of p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate
The XLogP value of 4.4 indicates that p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate 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 p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate?
The CAS number of p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate is 3894-08-4.
What is the molecular formula of p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate?
The molecular formula of p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate is C21H25NO3.
What is the molecular weight of p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate?
The molecular weight of p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate is 339.18 g/mol.
Where can I buy p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate?
You can request a quote for p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for p-Cymene-2-carboxamide, 3-hydroxy-N-phenethyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.