RefChem:416017
TL;DR: RefChem:416017 (CAS 55334-51-5) is a chemical compound with molecular formula C18H16O6 and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-[(4-methoxycarbonylphenyl)methyl] 1-O-methyl benzene-1,4-dicarboxylate
Also Known As: [4- phenyl]methylmethylterephthalate|4-(methoxycarbonyl)benzyl methyl terephthalate|Methyl 4-carbomethoxybenzyl terephthalate|Methyl [4-(methoxycarbonyl)phenyl]methyl terephthalate|Methyl (4-(methoxycarbonyl)phenyl)methyl terephthalate|1,4-Benzenedicarboxylic acid, [4-(methoxycarbonyl)phenyl]methyl methyl ester|Methyl (4-(methoxycarbonyl)phenyl)methyl 1,4-benzenedicarboxylate|(4-(Methoxycarbonyl)phenyl)methyl methyl terephthalate|[4-(METHOXYCARBONYL)PHENYL]METHYL METHYL TEREPHTHALATE|(4-(methoxycarbonyl)-phenyl)methyl methyl terephthalate|[4-(Methoxycarbonyl)phenyl ]methyl methyl terephthalate|1,4-Benzenedicarboxylic acid, (4-(methoxycarbonyl)phenyl)methyl methyl ester|1-[4-(Methoxycarbonyl)benzyl] 4-methyl terephthalate #|Methyl [4-(methoxycarbonyl)phenyl]methyl 1,4-benzenedicarboxylate|1,4-Benzenedicarboxylic acid, 1-((4-(methoxycarbonyl)phenyl)methyl) 4-methyl ester|Terephthalic acid 1-(4-methoxycarbonylbenzyl)4-methyl ester|4-(Methoxycarbonyl)benzoic acid 4-(methoxycarbonyl)benzyl ester|4-O-[(4-methoxycarbonylphenyl)methyl] 1-O-methyl benzene-1,4-dicarboxylate|Terephthalic acid 1-methyl 4-[4-(methoxycarbonyl)benzyl] ester|[4-(Methoxycarbonyl)phenyl]methyl methyl benzene-1,4-dicarboxylate|1,4-Benzenedicarboxylic acid, 1-[[4-(methoxycarbonyl)phenyl]methyl] 4-methyl ester|1-[[4-(Methoxycarbonyl)phenyl]methyl] 4-methyl 1,4-benzenedicarboxylate|1,4-Benzenedicarboxylic acid 1-methyl 4-[4-(methoxycarbonyl)phenyl]methyl ester|1,4-Benzenedicarboxylicacid, 1-[[4-(methoxycarbonyl)phenyl]methyl] 4-methyl ester|1-[4-(METHOXYCARBONYL)PHENYL]METHYL 4-METHYL BENZENE-1,4-DICARBOXYLATE
| Molecular Formula | C18H16O6 |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.0947 |
| Heavy Atoms | 24 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 55334-51-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C(=O)OC |
| InChIKey | ITTJRGPCQAAFGL-UHFFFAOYSA-N |
Product Overview
RefChem:416017 (CAS 55334-51-5), with molecular formula C18H16O6 and molecular weight 328.09 g/mol. IUPAC: 4-O-[(4-methoxycarbonylphenyl)methyl] 1-O-methyl benzene-1,4-dicarboxylate.
Chemical Property Profile of RefChem:416017
Property Insights of RefChem:416017
The XLogP value of 3.0 indicates that RefChem:416017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:416017. Following Lipinski's Rule of Five, RefChem:416017 has 0 hydrogen bond donor(s) and 6 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 RefChem:416017?
The CAS number of RefChem:416017 is 55334-51-5.
What is the molecular formula of RefChem:416017?
The molecular formula of RefChem:416017 is C18H16O6.
What is the molecular weight of RefChem:416017?
The molecular weight of RefChem:416017 is 328.09 g/mol.
Where can I buy RefChem:416017?
You can request a quote for RefChem:416017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:416017?
Yes, KEHONG BIO provides custom synthesis services for RefChem:416017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.