2-Hydroxypropyl 4-hydroxybenzoate
TL;DR: 2-Hydroxypropyl 4-hydroxybenzoate (CAS 77846-90-3) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropyl 4-hydroxybenzoate
Also Known As: 2-Hydroxypropyl 4-hydroxybenzoate, Loxoprofen Impurity 76, Methylparaben Impurity 1, 2-?Hydroxypropyl-4-?hydroxybenzoate, 2-Hydroxypropyl 4-hydroxybenzoate #
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 77846-90-3 |
|---|---|
| SMILES | CC(COC(=O)C1=CC=C(C=C1)O)O |
| InChIKey | HSFHQJDXOFHWNQ-UHFFFAOYSA-N |
Product Overview
2-Hydroxypropyl 4-hydroxybenzoate (CAS 77846-90-3), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: 2-hydroxypropyl 4-hydroxybenzoate.
Chemical Property Profile of 2-Hydroxypropyl 4-hydroxybenzoate
Property Insights of 2-Hydroxypropyl 4-hydroxybenzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxypropyl 4-hydroxybenzoate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxypropyl 4-hydroxybenzoate. Following Lipinski's Rule of Five, 2-Hydroxypropyl 4-hydroxybenzoate has 2 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 2-Hydroxypropyl 4-hydroxybenzoate?
The CAS number of 2-Hydroxypropyl 4-hydroxybenzoate is 77846-90-3.
What is the molecular formula of 2-Hydroxypropyl 4-hydroxybenzoate?
The molecular formula of 2-Hydroxypropyl 4-hydroxybenzoate is C10H12O4.
What is the molecular weight of 2-Hydroxypropyl 4-hydroxybenzoate?
The molecular weight of 2-Hydroxypropyl 4-hydroxybenzoate is 196.07 g/mol.
Where can I buy 2-Hydroxypropyl 4-hydroxybenzoate?
You can request a quote for 2-Hydroxypropyl 4-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxypropyl 4-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxypropyl 4-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.