4-羟基-4-甲基-2-己炔酸
TL;DR: 4-羟基-4-甲基-2-己炔酸 (CAS 89898-24-8) is a chemical compound with molecular formula C7H10O3 and molecular weight 142.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基-4-甲基-2-己炔酸
4-hydroxy-4-methylhex-2-ynoic acid
Also Known As: 4-Hydroxy-4-methyl-2-hexynoic acid, 4-hydroxy-4-methylhex-2-ynoic acid, 2-HEXYNOIC ACID, 4-HYDROXY-4-METHYL-, 4-03-00-01035 (Beilstein Handbook Reference), RefChem:1063305
| Molecular Formula | C7H10O3 |
|---|---|
| Molecular Weight | 142.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.06299 |
| Heavy Atoms | 10 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 89898-24-8 |
|---|---|
| SMILES | CCC(C)(C#CC(=O)O)O |
| InChIKey | PNXVCZOXRMVKOT-UHFFFAOYSA-N |
Product Overview
4-羟基-4-甲基-2-己炔酸 (CAS 89898-24-8), with molecular formula C7H10O3 and molecular weight 142.06 g/mol. IUPAC: 4-hydroxy-4-methylhex-2-ynoic acid.
Chemical Property Profile of 4-羟基-4-甲基-2-己炔酸
Property Insights of 4-羟基-4-甲基-2-己炔酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟基-4-甲基-2-己炔酸. With a topological polar surface area (TPSA) of 57.5 Ų, 4-羟基-4-甲基-2-己炔酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-羟基-4-甲基-2-己炔酸 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 4-羟基-4-甲基-2-己炔酸?
The CAS number of 4-羟基-4-甲基-2-己炔酸 is 89898-24-8.
What is the molecular formula of 4-羟基-4-甲基-2-己炔酸?
The molecular formula of 4-羟基-4-甲基-2-己炔酸 is C7H10O3.
What is the molecular weight of 4-羟基-4-甲基-2-己炔酸?
The molecular weight of 4-羟基-4-甲基-2-己炔酸 is 142.06 g/mol.
Where can I buy 4-羟基-4-甲基-2-己炔酸?
You can request a quote for 4-羟基-4-甲基-2-己炔酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基-4-甲基-2-己炔酸?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-4-甲基-2-己炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.