Dimethyl 4-hydroxyisophthalate
TL;DR: Dimethyl 4-hydroxyisophthalate (CAS 5985-24-0) is a chemical compound with molecular formula C10H10O5 and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-hydroxybenzene-1,3-dicarboxylate
Also Known As: Dimethyl 4-hydroxyisophthalate, 4-Hydroxyisophthalic acid dimethyl ester, 4-Hydroxy-isophthalic acid dimethyl ester, Dimethyl4-hydroxyisophthalate, dimethyl 4-hydroxybenzene-1,3-dicarboxylate
| Molecular Formula | C10H10O5 |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.05283 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 5985-24-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)O)C(=O)OC |
| InChIKey | ALBUJVBOIXVVLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 4-hydroxyisophthalate (CAS 5985-24-0), with molecular formula C10H10O5 and molecular weight 210.05 g/mol. IUPAC: dimethyl 4-hydroxybenzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 4-hydroxyisophthalate
Property Insights of Dimethyl 4-hydroxyisophthalate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-hydroxyisophthalate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-hydroxyisophthalate. Following Lipinski's Rule of Five, Dimethyl 4-hydroxyisophthalate 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 Dimethyl 4-hydroxyisophthalate?
The CAS number of Dimethyl 4-hydroxyisophthalate is 5985-24-0.
What is the molecular formula of Dimethyl 4-hydroxyisophthalate?
The molecular formula of Dimethyl 4-hydroxyisophthalate is C10H10O5.
What is the molecular weight of Dimethyl 4-hydroxyisophthalate?
The molecular weight of Dimethyl 4-hydroxyisophthalate is 210.05 g/mol.
Where can I buy Dimethyl 4-hydroxyisophthalate?
You can request a quote for Dimethyl 4-hydroxyisophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-hydroxyisophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-hydroxyisophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.