3-Hydroxyheptan-2-one
TL;DR: 3-Hydroxyheptan-2-one (CAS 68113-60-0) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxyheptan-2-one
Also Known As: 3-hydroxyheptan-2-one, 2-heptanon-3-ol, 3-hydroxy-2-heptanone, 2-Heptanone, 3-hydroxy-, J1.532.194F
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 1.1265 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 88.91694 |
Chemical Identifiers
| CAS Number | 68113-60-0 |
|---|---|
| SMILES | CCCCC(C(=O)C)O |
Product Overview
3-Hydroxyheptan-2-one (CAS 68113-60-0), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: 3-hydroxyheptan-2-one.
Chemical Property Profile of 3-Hydroxyheptan-2-one
Property Insights of 3-Hydroxyheptan-2-one
The XLogP value of 1.1265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxyheptan-2-one. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxyheptan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxyheptan-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-Hydroxyheptan-2-one?
The CAS number of 3-Hydroxyheptan-2-one is 68113-60-0.
What is the molecular formula of 3-Hydroxyheptan-2-one?
The molecular formula of 3-Hydroxyheptan-2-one is C7H14O2.
What is the molecular weight of 3-Hydroxyheptan-2-one?
The molecular weight of 3-Hydroxyheptan-2-one is 130.10 g/mol.
Where can I buy 3-Hydroxyheptan-2-one?
You can request a quote for 3-Hydroxyheptan-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-Hydroxyheptan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyheptan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.