Methyl 2-(2,3-dihydroxypropoxy)benzoate
TL;DR: Methyl 2-(2,3-dihydroxypropoxy)benzoate (CAS 53408-43-8) is a chemical compound with molecular formula C11H14O5 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,3-dihydroxypropoxy)benzoate
Also Known As: methyl 2-(2,3-dihydroxypropoxy)benzoate, 2-(2,3-Dihydroxypropoxy)methylbenzoate, 4-10-00-00146 (Beilstein Handbook Reference), BENZOIC ACID, o-(2,3-DIHYDROXYPROPOXY)-, METHYL ESTER, o-(2,3-Dihydroxypropoxy)benzoic acid methyl ester
| Molecular Formula | C11H14O5 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.08412 |
| Heavy Atoms | 16 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 53408-43-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1OCC(CO)O |
| InChIKey | PJQAOXMMZDKWAJ-UHFFFAOYSA-N |
Product Overview
Methyl 2-(2,3-dihydroxypropoxy)benzoate (CAS 53408-43-8), with molecular formula C11H14O5 and molecular weight 226.08 g/mol. IUPAC: methyl 2-(2,3-dihydroxypropoxy)benzoate.
Chemical Property Profile of Methyl 2-(2,3-dihydroxypropoxy)benzoate
Property Insights of Methyl 2-(2,3-dihydroxypropoxy)benzoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2,3-dihydroxypropoxy)benzoate. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2,3-dihydroxypropoxy)benzoate. Following Lipinski's Rule of Five, Methyl 2-(2,3-dihydroxypropoxy)benzoate has 2 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 Methyl 2-(2,3-dihydroxypropoxy)benzoate?
The CAS number of Methyl 2-(2,3-dihydroxypropoxy)benzoate is 53408-43-8.
What is the molecular formula of Methyl 2-(2,3-dihydroxypropoxy)benzoate?
The molecular formula of Methyl 2-(2,3-dihydroxypropoxy)benzoate is C11H14O5.
What is the molecular weight of Methyl 2-(2,3-dihydroxypropoxy)benzoate?
The molecular weight of Methyl 2-(2,3-dihydroxypropoxy)benzoate is 226.08 g/mol.
Where can I buy Methyl 2-(2,3-dihydroxypropoxy)benzoate?
You can request a quote for Methyl 2-(2,3-dihydroxypropoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2,3-dihydroxypropoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2,3-dihydroxypropoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.