tert-Butyl methyl malonate
TL;DR: tert-Butyl methyl malonate (CAS 42726-73-8) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-tert-butyl 1-O-methyl propanedioate
Also Known As: tert-Butyl methyl malonate, t-butyl methyl malonate, 1-tert-butyl 3-methyl propanedioate, tert-butyl methylmalote, tert-Butylmethylmalonate
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.8912 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 177.9871 |
Chemical Identifiers
| CAS Number | 42726-73-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC(=O)OC |
Product Overview
tert-Butyl methyl malonate (CAS 42726-73-8), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 3-O-tert-butyl 1-O-methyl propanedioate.
Chemical Property Profile of tert-Butyl methyl malonate
Property Insights of tert-Butyl methyl malonate
The XLogP value of 0.8912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl methyl malonate. With a topological polar surface area (TPSA) of 52.6 Ų, tert-Butyl methyl malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl methyl 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 tert-Butyl methyl malonate?
The CAS number of tert-Butyl methyl malonate is 42726-73-8.
What is the molecular formula of tert-Butyl methyl malonate?
The molecular formula of tert-Butyl methyl malonate is C8H14O4.
What is the molecular weight of tert-Butyl methyl malonate?
The molecular weight of tert-Butyl methyl malonate is 174.09 g/mol.
Where can I buy tert-Butyl methyl malonate?
You can request a quote for tert-Butyl methyl malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl methyl malonate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl methyl malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.