4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate
TL;DR: 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate (CAS 71281-96-4) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1-hydroxyethyl)-2-methoxyphenyl] benzoate
Also Known As: 4-(1-hydroxyethyl)-2-methoxyphenyl benzoate, [4-(1-hydroxyethyl)-2-methoxyphenyl] benzoate, diethyl 2-[(3-acetamidophenyl)methyl]propanedioate, Benzenemethanol, 4-(benzoyloxy)-3-methoxy-a-methyl-, 2,3-dihydroxy-24,34,54-hexadecaoxid-2-en-5-one compound with 4,5-dihydroxy-24,44,54-hexaoxid-4-en-2-one (1:1)
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 71281-96-4 |
|---|---|
| SMILES | CC(C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)OC)O |
| InChIKey | ZDEXBOZCBDVROZ-UHFFFAOYSA-N |
Product Overview
4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate (CAS 71281-96-4), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: [4-(1-hydroxyethyl)-2-methoxyphenyl] benzoate.
Chemical Property Profile of 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate
Property Insights of 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate. With a topological polar surface area (TPSA) of 55.8 Ų, 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate has 1 hydrogen bond donor(s) and 4 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 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate?
The CAS number of 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate is 71281-96-4.
What is the molecular formula of 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate?
The molecular formula of 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate is C16H16O4.
What is the molecular weight of 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate?
The molecular weight of 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate is 272.10 g/mol.
Where can I buy 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate?
You can request a quote for 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Hydroxyethyl)-2-methoxyphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.