Dimethyl (4-methylphenyl)malonate
TL;DR: Dimethyl (4-methylphenyl)malonate (CAS 34402-91-0) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4-methylphenyl)propanedioate
Also Known As: dimethyl (4-methylphenyl)malonate, Dimethyl 2-(4-methylphenyl)propanedioate, 1,3-dimethyl 2-(4-methylphenyl)propanedioate, 2-(4-Methylphenyl)malonic acid dimethyl ester, J2.566.331D
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.42462 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 364.51016 |
Chemical Identifiers
| CAS Number | 34402-91-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C(=O)OC)C(=O)OC |
Product Overview
Dimethyl (4-methylphenyl)malonate (CAS 34402-91-0), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: dimethyl 2-(4-methylphenyl)propanedioate.
Chemical Property Profile of Dimethyl (4-methylphenyl)malonate
Property Insights of Dimethyl (4-methylphenyl)malonate
The XLogP value of 1.42462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (4-methylphenyl)malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl (4-methylphenyl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl (4-methylphenyl)malonate 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 (4-methylphenyl)malonate?
The CAS number of Dimethyl (4-methylphenyl)malonate is 34402-91-0.
What is the molecular formula of Dimethyl (4-methylphenyl)malonate?
The molecular formula of Dimethyl (4-methylphenyl)malonate is C12H14O4.
What is the molecular weight of Dimethyl (4-methylphenyl)malonate?
The molecular weight of Dimethyl (4-methylphenyl)malonate is 222.09 g/mol.
Where can I buy Dimethyl (4-methylphenyl)malonate?
You can request a quote for Dimethyl (4-methylphenyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (4-methylphenyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (4-methylphenyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.