4-羟甲基异丁基酮
TL;DR: 4-羟甲基异丁基酮 (CAS 81497-25-8) is a chemical compound with molecular formula CCCC(=O)CCO and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟甲基异丁基酮
1-hydroxyhexan-3-one
Also Known As: Hydroxymethylpentanone, 1-hydroxyhexan-3-one, 3-hexanone-1-ol, HMIK, 1-hydroxy-3-hexanone
| Molecular Formula | CCCC(=O)CCO |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 81497-25-8 |
|---|---|
| SMILES | CCCC(=O)CCO |
| InChIKey | ITHSWIXXHGKFJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟甲基异丁基酮 (CAS 81497-25-8), with molecular formula CCCC(=O)CCO and molecular weight 116.08 g/mol. IUPAC: 1-hydroxyhexan-3-one.
Chemical Property Profile of 4-羟甲基异丁基酮
Property Insights of 4-羟甲基异丁基酮
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟甲基异丁基酮. With a topological polar surface area (TPSA) of 37.3 Ų, 4-羟甲基异丁基酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-羟甲基异丁基酮 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 4-羟甲基异丁基酮?
The CAS number of 4-羟甲基异丁基酮 is 81497-25-8.
What is the molecular formula of 4-羟甲基异丁基酮?
The molecular formula of 4-羟甲基异丁基酮 is CCCC(=O)CCO.
What is the molecular weight of 4-羟甲基异丁基酮?
The molecular weight of 4-羟甲基异丁基酮 is 116.08 g/mol.
Where can I buy 4-羟甲基异丁基酮?
You can request a quote for 4-羟甲基异丁基酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟甲基异丁基酮?
Yes, KEHONG BIO provides custom synthesis services for 4-羟甲基异丁基酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.