3-Amino-5-methyl-2-hexanone
TL;DR: 3-Amino-5-methyl-2-hexanone (CAS 5440-24-4) is a chemical compound with molecular formula C7H15NO and molecular weight 129.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5-methylhexan-2-one
Also Known As: 3-amino-5-methylhexan-2-one, 3-amino-5-methyl-2-hexanone, 2-Hexanone,3-amino-5-methyl-, 3-Amino-5-methyl-hexan-2-one, 3-Amino-5-methyl-2-hexanon
| Molecular Formula | C7H15NO |
|---|---|
| Molecular Weight | 129.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 129.11537 |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 5440-24-4 |
|---|---|
| SMILES | CC(C)CC(C(=O)C)N |
| InChIKey | RVCJZAGFTBLSSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-5-methyl-2-hexanone (CAS 5440-24-4), with molecular formula C7H15NO and molecular weight 129.12 g/mol. IUPAC: 3-amino-5-methylhexan-2-one.
Chemical Property Profile of 3-Amino-5-methyl-2-hexanone
Property Insights of 3-Amino-5-methyl-2-hexanone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5-methyl-2-hexanone. With a topological polar surface area (TPSA) of 43.1 Ų, 3-Amino-5-methyl-2-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-5-methyl-2-hexanone 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-Amino-5-methyl-2-hexanone?
The CAS number of 3-Amino-5-methyl-2-hexanone is 5440-24-4.
What is the molecular formula of 3-Amino-5-methyl-2-hexanone?
The molecular formula of 3-Amino-5-methyl-2-hexanone is C7H15NO.
What is the molecular weight of 3-Amino-5-methyl-2-hexanone?
The molecular weight of 3-Amino-5-methyl-2-hexanone is 129.12 g/mol.
Where can I buy 3-Amino-5-methyl-2-hexanone?
You can request a quote for 3-Amino-5-methyl-2-hexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5-methyl-2-hexanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5-methyl-2-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.