Diethyl 4-hydroxy-5-methylisophthalate
TL;DR: Diethyl 4-hydroxy-5-methylisophthalate (CAS 7504-67-8) is a chemical compound with molecular formula C13H16O5 and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-hydroxy-5-methylbenzene-1,3-dicarboxylate
Also Known As: Diethyl 4-hydroxy-5-methylisophthalate, H-GAMMA-GLU-ALA-OH, 4-HYDROXY-5-METHYL-ISOPHTHALIC ACID DIETHYL ESTER, diethyl 4-hydroxy-5-methylbenzene-1,3-dicarboxylate, 2831AJ
| Molecular Formula | C13H16O5 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.09978 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 7504-67-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)C)O)C(=O)OCC |
| InChIKey | JBFYCPSDSDQVMR-UHFFFAOYSA-N |
Product Overview
Diethyl 4-hydroxy-5-methylisophthalate (CAS 7504-67-8), with molecular formula C13H16O5 and molecular weight 252.10 g/mol. IUPAC: diethyl 4-hydroxy-5-methylbenzene-1,3-dicarboxylate.
Chemical Property Profile of Diethyl 4-hydroxy-5-methylisophthalate
Property Insights of Diethyl 4-hydroxy-5-methylisophthalate
The XLogP value of 3.6 indicates that Diethyl 4-hydroxy-5-methylisophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4-hydroxy-5-methylisophthalate. Following Lipinski's Rule of Five, Diethyl 4-hydroxy-5-methylisophthalate has 1 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 Diethyl 4-hydroxy-5-methylisophthalate?
The CAS number of Diethyl 4-hydroxy-5-methylisophthalate is 7504-67-8.
What is the molecular formula of Diethyl 4-hydroxy-5-methylisophthalate?
The molecular formula of Diethyl 4-hydroxy-5-methylisophthalate is C13H16O5.
What is the molecular weight of Diethyl 4-hydroxy-5-methylisophthalate?
The molecular weight of Diethyl 4-hydroxy-5-methylisophthalate is 252.10 g/mol.
Where can I buy Diethyl 4-hydroxy-5-methylisophthalate?
You can request a quote for Diethyl 4-hydroxy-5-methylisophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 4-hydroxy-5-methylisophthalate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-hydroxy-5-methylisophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.