1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate
TL;DR: 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate (CAS 19314-77-3) is a chemical compound with molecular formula C23H26O9 and molecular weight 446.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate
Also Known As: 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate, Isophthalic acid, 2,4-dimethoxy-6-methyl-, 3-methyl ester, ester with methyl 4-hydroxy-3,6-dimethyl-o-anisate, 1-[3-methoxy-4-(methoxycarbonyl)-2,5-dimethylphenyl] 3-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate, 1-[3-Methoxy-4-(methoxycarbonyl)-2,5-dimethylphenyl] 3-methyl 2,4-dimethoxy-6-methylisophthalate, 1-[3-Methoxy-4-(methoxycarbonyl)-2,5-dimethylphenyl] 3-methyl 2,4-dimethoxy-6-methylisophthalate #
| Molecular Formula | C23H26O9 |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 446.15768 |
| Heavy Atoms | 32 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 19314-77-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)OC)OC)C)OC(=O)C2=C(C(=C(C=C2C)OC)C(=O)OC)OC |
| InChIKey | KTFFLXWSRYDURC-UHFFFAOYSA-N |
Product Overview
1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate (CAS 19314-77-3), with molecular formula C23H26O9 and molecular weight 446.16 g/mol. IUPAC: 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate.
Chemical Property Profile of 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate
Property Insights of 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate
The XLogP value of 4.0 indicates that 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate has 0 hydrogen bond donor(s) and 9 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 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate?
The CAS number of 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate is 19314-77-3.
What is the molecular formula of 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate?
The molecular formula of 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate is C23H26O9.
What is the molecular weight of 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate?
The molecular weight of 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate is 446.16 g/mol.
Where can I buy 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate?
You can request a quote for 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.