(1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester
TL;DR: (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester (CAS 21991-01-5) is a chemical compound with molecular formula C22H18O4 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4,5-diphenylbenzene-1,3-dicarboxylate
Also Known As: Dimethyl 4,5-diphenylbenzene-1,3-dicarboxylate, (1,1',2',1'')TERPHENYL-3',5'-DICARBOXYLIC ACID DIMETHYL ESTER, 1,3-dimethyl 4,5-diphenylbenzene-1,3-dicarboxylate, [o-Terphenyl]-3a(2),5a(2)-dicarboxylic acid, dimethyl ester, Dimethyl [1~1~,2~1~:2~2~,3~1~-terphenyl]-2~3~,2~5~-dicarboxylate
| Molecular Formula | C22H18O4 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 4.5938 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.1205 |
| Heavy Atoms | 26 |
| Complexity | 931.1159 |
Chemical Identifiers
| CAS Number | 21991-01-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C(=C1)C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
(1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester (CAS 21991-01-5), with molecular formula C22H18O4 and molecular weight 346.12 g/mol. IUPAC: dimethyl 4,5-diphenylbenzene-1,3-dicarboxylate.
Chemical Property Profile of (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester
Property Insights of (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester
The XLogP value of 4.5938 indicates that (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester has 0 hydrogen bond donor(s) and 4 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 (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester?
The CAS number of (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester is 21991-01-5.
What is the molecular formula of (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester?
The molecular formula of (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester is C22H18O4.
What is the molecular weight of (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester?
The molecular weight of (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester is 346.12 g/mol.
Where can I buy (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester?
You can request a quote for (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1,1',2',1'')Terphenyl-3',5'-dicarboxylic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.