4-Acetyl-4-methylheptanedioic acid
TL;DR: 4-Acetyl-4-methylheptanedioic acid (CAS 5460-06-0) is a chemical compound with molecular formula C10H16O5 and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-4-methylheptanedioic acid
Also Known As: 4-Acetyl-4-methylheptanedioic acid, 4-Acetyl-4-methylpimelic acid, RARECHEM AL BO 0574, 4-Acetyl-4-methylheptanedioicacid, Heptanedioic acid, 4-acetyl-4-methyl-
| Molecular Formula | C10H16O5 |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 216.09978 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 5460-06-0 |
|---|---|
| SMILES | CC(=O)C(C)(CCC(=O)O)CCC(=O)O |
| InChIKey | LYBQMKJABQTTFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetyl-4-methylheptanedioic acid (CAS 5460-06-0), with molecular formula C10H16O5 and molecular weight 216.10 g/mol. IUPAC: 4-acetyl-4-methylheptanedioic acid.
Chemical Property Profile of 4-Acetyl-4-methylheptanedioic acid
Property Insights of 4-Acetyl-4-methylheptanedioic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-4-methylheptanedioic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyl-4-methylheptanedioic acid. Following Lipinski's Rule of Five, 4-Acetyl-4-methylheptanedioic acid has 2 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-methylheptanedioic acid?
The CAS number of 4-Acetyl-4-methylheptanedioic acid is 5460-06-0.
What is the molecular formula of 4-Acetyl-4-methylheptanedioic acid?
The molecular formula of 4-Acetyl-4-methylheptanedioic acid is C10H16O5.
What is the molecular weight of 4-Acetyl-4-methylheptanedioic acid?
The molecular weight of 4-Acetyl-4-methylheptanedioic acid is 216.10 g/mol.
Where can I buy 4-Acetyl-4-methylheptanedioic acid?
You can request a quote for 4-Acetyl-4-methylheptanedioic acid 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-methylheptanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-4-methylheptanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.