5-Hydroxy-isophthalic acid diethyl ester
TL;DR: 5-Hydroxy-isophthalic acid diethyl ester (CAS 39630-68-7) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-hydroxybenzene-1,3-dicarboxylate
Also Known As: Diethyl 5-hydroxyisophthalate, 5-Hydroxy-isophthalic acid diethyl ester, diethyl 5-hydroxybenzene-1,3-dicarboxylate, 1,3-diethyl 5-hydroxybenzene-1,3-dicarboxylate, Diethyl 5-hydroxyisophthalate #
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 39630-68-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)O)C(=O)OCC |
| InChIKey | PUZBTHGPBGQFLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Hydroxy-isophthalic acid diethyl ester (CAS 39630-68-7), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: diethyl 5-hydroxybenzene-1,3-dicarboxylate.
Chemical Property Profile of 5-Hydroxy-isophthalic acid diethyl ester
Property Insights of 5-Hydroxy-isophthalic acid diethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-isophthalic acid diethyl ester. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-isophthalic acid diethyl ester. Following Lipinski's Rule of Five, 5-Hydroxy-isophthalic acid diethyl ester 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 5-Hydroxy-isophthalic acid diethyl ester?
The CAS number of 5-Hydroxy-isophthalic acid diethyl ester is 39630-68-7.
What is the molecular formula of 5-Hydroxy-isophthalic acid diethyl ester?
The molecular formula of 5-Hydroxy-isophthalic acid diethyl ester is C12H14O5.
What is the molecular weight of 5-Hydroxy-isophthalic acid diethyl ester?
The molecular weight of 5-Hydroxy-isophthalic acid diethyl ester is 238.08 g/mol.
Where can I buy 5-Hydroxy-isophthalic acid diethyl ester?
You can request a quote for 5-Hydroxy-isophthalic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-isophthalic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-isophthalic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.