Butanedioc acid tert-butyl methyl ester
TL;DR: Butanedioc acid tert-butyl methyl ester (CAS 14734-25-9) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-tert-butyl 1-O-methyl butanedioate
Also Known As: tert-Butyl methyl succinate, tert-Butylmethylsuccinate, Butanedioc acid tert-butyl methyl ester, 4-O-tert-butyl 1-O-methyl butanedioate, tert-Butyl methyl butanedioate
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 14734-25-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCC(=O)OC |
| InChIKey | KGLNZUDBQPORRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioc acid tert-butyl methyl ester (CAS 14734-25-9), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: 4-O-tert-butyl 1-O-methyl butanedioate.
Chemical Property Profile of Butanedioc acid tert-butyl methyl ester
Property Insights of Butanedioc acid tert-butyl methyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioc acid tert-butyl methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Butanedioc acid tert-butyl methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioc acid tert-butyl methyl 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 Butanedioc acid tert-butyl methyl ester?
The CAS number of Butanedioc acid tert-butyl methyl ester is 14734-25-9.
What is the molecular formula of Butanedioc acid tert-butyl methyl ester?
The molecular formula of Butanedioc acid tert-butyl methyl ester is C9H16O4.
What is the molecular weight of Butanedioc acid tert-butyl methyl ester?
The molecular weight of Butanedioc acid tert-butyl methyl ester is 188.10 g/mol.
Where can I buy Butanedioc acid tert-butyl methyl ester?
You can request a quote for Butanedioc acid tert-butyl methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioc acid tert-butyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioc acid tert-butyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.