4-Acetyl-4-methylheptanedioate
TL;DR: 4-Acetyl-4-methylheptanedioate (CAS 19830-09-2) is a chemical compound with molecular formula C10H14O5-2 and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-4-methylheptanedioate
Also Known As: 4-acetyl-4-methylheptanedioate, 3-acetyl-3-methylpentane-1,5-dicarboxylic acid
| Molecular Formula | C10H14O5-2 |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | -1.3581 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 214.08412 |
| Heavy Atoms | 15 |
| Complexity | 250.98631 |
Chemical Identifiers
| CAS Number | 19830-09-2 |
|---|---|
| SMILES | CC(=O)C(C)(CCC(=O)[O-])CCC(=O)[O-] |
Product Overview
4-Acetyl-4-methylheptanedioate (CAS 19830-09-2), with molecular formula C10H14O5-2 and molecular weight 214.08 g/mol. IUPAC: 4-acetyl-4-methylheptanedioate.
Chemical Property Profile of 4-Acetyl-4-methylheptanedioate
Property Insights of 4-Acetyl-4-methylheptanedioate
The XLogP value of -1.3581 indicates that 4-Acetyl-4-methylheptanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyl-4-methylheptanedioate. Following Lipinski's Rule of Five, 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 4-Acetyl-4-methylheptanedioate?
The CAS number of 4-Acetyl-4-methylheptanedioate is 19830-09-2.
What is the molecular formula of 4-Acetyl-4-methylheptanedioate?
The molecular formula of 4-Acetyl-4-methylheptanedioate is C10H14O5-2.
What is the molecular weight of 4-Acetyl-4-methylheptanedioate?
The molecular weight of 4-Acetyl-4-methylheptanedioate is 214.08 g/mol.
Where can I buy 4-Acetyl-4-methylheptanedioate?
You can request a quote for 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 4-Acetyl-4-methylheptanedioate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-4-methylheptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.