Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate
TL;DR: Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate (CAS 65719-10-0) is a chemical compound with molecular formula C13H14O8 and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)benzene-1,3-dicarboxylate
Also Known As: Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate, 2,4-Dihydroxy-6-methoxycarbonylmethyl-isophthalic acid dimethyl ester, dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)benzene-1,3-dicarboxylate, dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)benzene-1,3-d, Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate #
| Molecular Formula | C13H14O8 |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.06888 |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 65719-10-0 |
|---|---|
| SMILES | COC(=O)CC1=CC(=C(C(=C1C(=O)OC)O)C(=O)OC)O |
| InChIKey | LJNREXHVXGSNPW-UHFFFAOYSA-N |
Product Overview
Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate (CAS 65719-10-0), with molecular formula C13H14O8 and molecular weight 298.07 g/mol. IUPAC: dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate
Property Insights of Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate. Following Lipinski's Rule of Five, Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate has 2 hydrogen bond donor(s) and 8 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 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate?
The CAS number of Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate is 65719-10-0.
What is the molecular formula of Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate?
The molecular formula of Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate is C13H14O8.
What is the molecular weight of Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate?
The molecular weight of Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate is 298.07 g/mol.
Where can I buy Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate?
You can request a quote for Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,4-dihydroxy-6-(2-methoxy-2-oxoethyl)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.