1,4-Dimethyl 2-(propan-2-yl)butanedioate
TL;DR: 1,4-Dimethyl 2-(propan-2-yl)butanedioate (CAS 23292-51-5) 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.
dimethyl 2-propan-2-ylbutanedioate
Also Known As: Dimethyl 2-isopropylsuccinate, Dimethyl 2-isopropylsuccinate #, dimethyl 2-propan-2-ylbutanedioate, 1,4-dimethyl 2-(propan-2-yl)butanedioate, 2-Isopropylsuccinic acid dimethyl ester
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.2 |
| 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 | 186.0 |
Chemical Identifiers
| CAS Number | 23292-51-5 |
|---|---|
| SMILES | CC(C)C(CC(=O)OC)C(=O)OC |
| InChIKey | UTEZYXDWWFOWGJ-UHFFFAOYSA-N |
Product Overview
1,4-Dimethyl 2-(propan-2-yl)butanedioate (CAS 23292-51-5), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: dimethyl 2-propan-2-ylbutanedioate.
Chemical Property Profile of 1,4-Dimethyl 2-(propan-2-yl)butanedioate
Property Insights of 1,4-Dimethyl 2-(propan-2-yl)butanedioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl 2-(propan-2-yl)butanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Dimethyl 2-(propan-2-yl)butanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethyl 2-(propan-2-yl)butanedioate 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 1,4-Dimethyl 2-(propan-2-yl)butanedioate?
The CAS number of 1,4-Dimethyl 2-(propan-2-yl)butanedioate is 23292-51-5.
What is the molecular formula of 1,4-Dimethyl 2-(propan-2-yl)butanedioate?
The molecular formula of 1,4-Dimethyl 2-(propan-2-yl)butanedioate is C9H16O4.
What is the molecular weight of 1,4-Dimethyl 2-(propan-2-yl)butanedioate?
The molecular weight of 1,4-Dimethyl 2-(propan-2-yl)butanedioate is 188.10 g/mol.
Where can I buy 1,4-Dimethyl 2-(propan-2-yl)butanedioate?
You can request a quote for 1,4-Dimethyl 2-(propan-2-yl)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl 2-(propan-2-yl)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl 2-(propan-2-yl)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.