Heptanedioic acid, 4,4-dimethyl-, diethyl ester
TL;DR: Heptanedioic acid, 4,4-dimethyl-, diethyl ester (CAS 55134-05-9) is a chemical compound with molecular formula C13H24O4 and molecular weight 244.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4,4-dimethylheptanedioate
Also Known As: Diethyl 4,4-dimethylheptanedioate, 4,4-Dimethylpimelicaciddiethylester, 4,4-Dimethylpimelic acid diethyl ester, Diethyl 4,4-dimethylheptanedioate #, 1,7-diethyl 4,4-dimethylheptanedioate
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 55134-05-9 |
|---|---|
| SMILES | CCOC(=O)CCC(C)(C)CCC(=O)OCC |
| InChIKey | LMPYRKAOINYIRA-UHFFFAOYSA-N |
Product Overview
Heptanedioic acid, 4,4-dimethyl-, diethyl ester (CAS 55134-05-9), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: diethyl 4,4-dimethylheptanedioate.
Chemical Property Profile of Heptanedioic acid, 4,4-dimethyl-, diethyl ester
Property Insights of Heptanedioic acid, 4,4-dimethyl-, diethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanedioic acid, 4,4-dimethyl-, diethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Heptanedioic acid, 4,4-dimethyl-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanedioic acid, 4,4-dimethyl-, diethyl 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 Heptanedioic acid, 4,4-dimethyl-, diethyl ester?
The CAS number of Heptanedioic acid, 4,4-dimethyl-, diethyl ester is 55134-05-9.
What is the molecular formula of Heptanedioic acid, 4,4-dimethyl-, diethyl ester?
The molecular formula of Heptanedioic acid, 4,4-dimethyl-, diethyl ester is C13H24O4.
What is the molecular weight of Heptanedioic acid, 4,4-dimethyl-, diethyl ester?
The molecular weight of Heptanedioic acid, 4,4-dimethyl-, diethyl ester is 244.17 g/mol.
Where can I buy Heptanedioic acid, 4,4-dimethyl-, diethyl ester?
You can request a quote for Heptanedioic acid, 4,4-dimethyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanedioic acid, 4,4-dimethyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptanedioic acid, 4,4-dimethyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.