3-羟基-5,5-二甲基己酸
TL;DR: 3-羟基-5,5-二甲基己酸 (CAS 178979-64-1) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基-5,5-二甲基己酸
3-hydroxy-5,5-dimethylhexanoic acid
Also Known As: 3-Hydroxy-5,5-dimethylhexanoic acid, Hexanoic acid, 3-hydroxy-5,5-dimethyl-, 3-hydroxy-5,5-dimethylhexanoicacid, 5,5-dimethyl-3-hydroxyhexanoic acid, Hexanoic acid,3-hydroxy-5,5-dimethyl-
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 178979-64-1 |
|---|---|
| SMILES | CC(C)(C)CC(CC(=O)O)O |
| InChIKey | PHACRADGRHURFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-羟基-5,5-二甲基己酸 (CAS 178979-64-1), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: 3-hydroxy-5,5-dimethylhexanoic acid.
Chemical Property Profile of 3-羟基-5,5-二甲基己酸
Property Insights of 3-羟基-5,5-二甲基己酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羟基-5,5-二甲基己酸. With a topological polar surface area (TPSA) of 57.5 Ų, 3-羟基-5,5-二甲基己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基-5,5-二甲基己酸 has 2 hydrogen bond donor(s) and 3 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-羟基-5,5-二甲基己酸?
The CAS number of 3-羟基-5,5-二甲基己酸 is 178979-64-1.
What is the molecular formula of 3-羟基-5,5-二甲基己酸?
The molecular formula of 3-羟基-5,5-二甲基己酸 is C8H16O3.
What is the molecular weight of 3-羟基-5,5-二甲基己酸?
The molecular weight of 3-羟基-5,5-二甲基己酸 is 160.11 g/mol.
Where can I buy 3-羟基-5,5-二甲基己酸?
You can request a quote for 3-羟基-5,5-二甲基己酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基-5,5-二甲基己酸?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基-5,5-二甲基己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.