3,4,4-三甲基戊酸
TL;DR: 3,4,4-三甲基戊酸 (CAS 64043-89-6) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,4-三甲基戊酸
3,4,4-trimethylpentanoic acid
Also Known As: 3,4,4-Trimethylpentanoic acid, METHYLLAURATE, 3-Methylneopentylacetic acid, 1-Bis-phenylseleno-hexan, Pentanoic acid,3,4,4-trimethyl-
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 64043-89-6 |
|---|---|
| SMILES | CC(CC(=O)O)C(C)(C)C |
| InChIKey | WLBGHZBIFQNGCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,4-三甲基戊酸 (CAS 64043-89-6), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 3,4,4-trimethylpentanoic acid.
Chemical Property Profile of 3,4,4-三甲基戊酸
Property Insights of 3,4,4-三甲基戊酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,4-三甲基戊酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3,4,4-三甲基戊酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4-三甲基戊酸 has 1 hydrogen bond donor(s) and 2 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 3,4,4-三甲基戊酸?
The CAS number of 3,4,4-三甲基戊酸 is 64043-89-6.
What is the molecular formula of 3,4,4-三甲基戊酸?
The molecular formula of 3,4,4-三甲基戊酸 is C8H16O2.
What is the molecular weight of 3,4,4-三甲基戊酸?
The molecular weight of 3,4,4-三甲基戊酸 is 144.12 g/mol.
Where can I buy 3,4,4-三甲基戊酸?
You can request a quote for 3,4,4-三甲基戊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,4-三甲基戊酸?
Yes, KEHONG BIO provides custom synthesis services for 3,4,4-三甲基戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.