Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester
TL;DR: Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester (CAS 63834-25-3) is a chemical compound with molecular formula C16H24O5 and molecular weight 296.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-enyl) 4-acetyl-4-methylheptanedioate
Also Known As: NCIOpen2_004604, 4-Acetyl-4-methylheptanedioic acid diallyl ester, Diallyl 4-acetyl-4-methylheptanedioate, Heptanedioic acid, di-2-propenyl ester, HEPTANEDIOIC ACID, 4-ACETYL-4-METHYL-, DIALLYL ESTER
| Molecular Formula | C16H24O5 |
|---|---|
| Molecular Weight | 296.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 296.16238 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 63834-25-3 |
|---|---|
| SMILES | CC(=O)C(C)(CCC(=O)OCC=C)CCC(=O)OCC=C |
| InChIKey | CXWHJCJCJUVJDG-UHFFFAOYSA-N |
Product Overview
Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester (CAS 63834-25-3), with molecular formula C16H24O5 and molecular weight 296.16 g/mol. IUPAC: bis(prop-2-enyl) 4-acetyl-4-methylheptanedioate.
Chemical Property Profile of Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester
Property Insights of Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester. Following Lipinski's Rule of Five, Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester 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 Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester?
The CAS number of Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester is 63834-25-3.
What is the molecular formula of Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester?
The molecular formula of Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester is C16H24O5.
What is the molecular weight of Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester?
The molecular weight of Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester is 296.16 g/mol.
Where can I buy Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester?
You can request a quote for Heptanedioic acid, 4-acetyl-4-methyl-, diallyl 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-acetyl-4-methyl-, diallyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.