3-Aminoheptan-2-one
TL;DR: 3-Aminoheptan-2-one (CAS 40513-33-5) 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-aminoheptan-2-one
Also Known As: 3-aminoheptan-2-one, 2-Heptanone, 3-amino-, 2-Heptanone,3-amino, 2-Heptanone,3-amino-, 2-Heptanone, 3-amino- (9CI)
| Molecular Formula | C7H15NO |
|---|---|
| Molecular Weight | 129.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 129.11537 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 40513-33-5 |
|---|---|
| SMILES | CCCCC(C(=O)C)N |
| InChIKey | WVUZKKYXJLYJEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Aminoheptan-2-one (CAS 40513-33-5), with molecular formula C7H15NO and molecular weight 129.12 g/mol. IUPAC: 3-aminoheptan-2-one.
Chemical Property Profile of 3-Aminoheptan-2-one
Property Insights of 3-Aminoheptan-2-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Aminoheptan-2-one. With a topological polar surface area (TPSA) of 43.1 Ų, 3-Aminoheptan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Aminoheptan-2-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 3-Aminoheptan-2-one?
The CAS number of 3-Aminoheptan-2-one is 40513-33-5.
What is the molecular formula of 3-Aminoheptan-2-one?
The molecular formula of 3-Aminoheptan-2-one is C7H15NO.
What is the molecular weight of 3-Aminoheptan-2-one?
The molecular weight of 3-Aminoheptan-2-one is 129.12 g/mol.
Where can I buy 3-Aminoheptan-2-one?
You can request a quote for 3-Aminoheptan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminoheptan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminoheptan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.