Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate
TL;DR: Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate (CAS 100447-42-5) is a chemical compound with molecular formula C21H22O4 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate
Also Known As: dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate, dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxyla, 1,2-Cyclopropanedicarboxylic acid, 3,3-bis(4-methylphenyl)-, 1,2-dimethyl ester, 1,2-Cyclopropanedicarboxylicacid, 3,3-bis(4-methylphenyl)-, 1,2-dimethyl ester, 1,2-Cyclopropanedicarboxylicacid,3,3-bis(4-methylphenyl)-,1,2-dimethyl ester
| Molecular Formula | C21H22O4 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.1518 |
| Heavy Atoms | 25 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 100447-42-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2(C(C2C(=O)OC)C(=O)OC)C3=CC=C(C=C3)C |
| InChIKey | WBUBQXNQKKUBAZ-UHFFFAOYSA-N |
Product Overview
Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate (CAS 100447-42-5), with molecular formula C21H22O4 and molecular weight 338.15 g/mol. IUPAC: dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate
Property Insights of Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate
The XLogP value of 3.9 indicates that Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate 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 Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate?
The CAS number of Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate is 100447-42-5.
What is the molecular formula of Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate?
The molecular formula of Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate is C21H22O4.
What is the molecular weight of Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate?
The molecular weight of Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate is 338.15 g/mol.
Where can I buy Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate?
You can request a quote for Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.