Dibutyl 4-acetyl-4-methylheptanedioate
TL;DR: Dibutyl 4-acetyl-4-methylheptanedioate (CAS 75075-27-3) is a chemical compound with molecular formula C18H32O5 and molecular weight 328.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 4-acetyl-4-methylheptanedioate
Also Known As: dibutyl 4-acetyl-4-methylheptanedioate, NCIOpen2_007657, 4-acetyl-4-methyl-heptanedioic acid dibutyl ester
| Molecular Formula | C18H32O5 |
|---|---|
| Molecular Weight | 328.22 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 328.22498 |
| Heavy Atoms | 23 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 75075-27-3 |
|---|---|
| SMILES | CCCCOC(=O)CCC(C)(CCC(=O)OCCCC)C(=O)C |
| InChIKey | VDDILPGLPNCVCR-UHFFFAOYSA-N |
Product Overview
Dibutyl 4-acetyl-4-methylheptanedioate (CAS 75075-27-3), with molecular formula C18H32O5 and molecular weight 328.22 g/mol. IUPAC: dibutyl 4-acetyl-4-methylheptanedioate.
Chemical Property Profile of Dibutyl 4-acetyl-4-methylheptanedioate
Property Insights of Dibutyl 4-acetyl-4-methylheptanedioate
The XLogP value of 3.1 indicates that Dibutyl 4-acetyl-4-methylheptanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibutyl 4-acetyl-4-methylheptanedioate. Following Lipinski's Rule of Five, Dibutyl 4-acetyl-4-methylheptanedioate has 0 hydrogen bond donor(s) and 5 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 Dibutyl 4-acetyl-4-methylheptanedioate?
The CAS number of Dibutyl 4-acetyl-4-methylheptanedioate is 75075-27-3.
What is the molecular formula of Dibutyl 4-acetyl-4-methylheptanedioate?
The molecular formula of Dibutyl 4-acetyl-4-methylheptanedioate is C18H32O5.
What is the molecular weight of Dibutyl 4-acetyl-4-methylheptanedioate?
The molecular weight of Dibutyl 4-acetyl-4-methylheptanedioate is 328.22 g/mol.
Where can I buy Dibutyl 4-acetyl-4-methylheptanedioate?
You can request a quote for Dibutyl 4-acetyl-4-methylheptanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl 4-acetyl-4-methylheptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl 4-acetyl-4-methylheptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.