2-Hydroxyethyl 4-methylbenzoate
TL;DR: 2-Hydroxyethyl 4-methylbenzoate (CAS 28129-15-9) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl 4-methylbenzoate
Also Known As: 2-Hydroxyethyl 4-methylbenzoate, 2-Hydroxyethyl4-methylbenzoate, p-Toluic acid, 2-hydroxyethyl ester, Benzoic acid, 4-methyl-, 2-hydroxyethyl ester, 2-Hydroxyethyl 4-methylbenzoate #
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 28129-15-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCCO |
| InChIKey | BOMBRBNKVUKCJW-UHFFFAOYSA-N |
Product Overview
2-Hydroxyethyl 4-methylbenzoate (CAS 28129-15-9), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 2-hydroxyethyl 4-methylbenzoate.
Chemical Property Profile of 2-Hydroxyethyl 4-methylbenzoate
Property Insights of 2-Hydroxyethyl 4-methylbenzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyethyl 4-methylbenzoate. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Hydroxyethyl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxyethyl 4-methylbenzoate 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 2-Hydroxyethyl 4-methylbenzoate?
The CAS number of 2-Hydroxyethyl 4-methylbenzoate is 28129-15-9.
What is the molecular formula of 2-Hydroxyethyl 4-methylbenzoate?
The molecular formula of 2-Hydroxyethyl 4-methylbenzoate is C10H12O3.
What is the molecular weight of 2-Hydroxyethyl 4-methylbenzoate?
The molecular weight of 2-Hydroxyethyl 4-methylbenzoate is 180.08 g/mol.
Where can I buy 2-Hydroxyethyl 4-methylbenzoate?
You can request a quote for 2-Hydroxyethyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyethyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyethyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.