4-Amino-6-methylheptan-3-one
TL;DR: 4-Amino-6-methylheptan-3-one (CAS 40513-36-8) is a chemical compound with molecular formula CCC(=O)C(CC(C)C)N and molecular weight 143.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-methylheptan-3-one
Also Known As: 4-amino-6-methylheptan-3-one, 4-Amino-6-methyl-3-heptanone, 4-amino-6-methyl-heptan-3-one
| Molecular Formula | CCC(=O)C(CC(C)C)N |
|---|---|
| Molecular Weight | 143.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 143.13101 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 40513-36-8 |
|---|---|
| SMILES | CCC(=O)C(CC(C)C)N |
| InChIKey | ZYTBWPYWOMAWEV-UHFFFAOYSA-N |
Product Overview
4-Amino-6-methylheptan-3-one (CAS 40513-36-8), with molecular formula CCC(=O)C(CC(C)C)N and molecular weight 143.13 g/mol. IUPAC: 4-amino-6-methylheptan-3-one.
Chemical Property Profile of 4-Amino-6-methylheptan-3-one
Property Insights of 4-Amino-6-methylheptan-3-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-6-methylheptan-3-one. With a topological polar surface area (TPSA) of 43.1 Ų, 4-Amino-6-methylheptan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-6-methylheptan-3-one 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-Amino-6-methylheptan-3-one?
The CAS number of 4-Amino-6-methylheptan-3-one is 40513-36-8.
What is the molecular formula of 4-Amino-6-methylheptan-3-one?
The molecular formula of 4-Amino-6-methylheptan-3-one is CCC(=O)C(CC(C)C)N.
What is the molecular weight of 4-Amino-6-methylheptan-3-one?
The molecular weight of 4-Amino-6-methylheptan-3-one is 143.13 g/mol.
Where can I buy 4-Amino-6-methylheptan-3-one?
You can request a quote for 4-Amino-6-methylheptan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-6-methylheptan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-6-methylheptan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.