Neoheptanol
TL;DR: Neoheptanol (CAS 2370-12-9) is a chemical compound with molecular formula C7H16O and molecular weight 116.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpentan-1-ol
Also Known As: 2,2-Dimethylpentan-1-ol, Neoheptanol, 2,2-Dimethylpentanol, 1-Pentanol, 2,2-dimethyl-, 2,2-DIMETHYL-1-PENTANOL
| Molecular Formula | C7H16O |
|---|---|
| Molecular Weight | 116.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.12012 |
| Heavy Atoms | 8 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 2370-12-9 |
|---|---|
| SMILES | CCCC(C)(C)CO |
| InChIKey | QTOMCRXZFDHJOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neoheptanol (CAS 2370-12-9), with molecular formula C7H16O and molecular weight 116.12 g/mol. IUPAC: 2,2-dimethylpentan-1-ol.
Chemical Property Profile of Neoheptanol
Property Insights of Neoheptanol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neoheptanol. With a topological polar surface area (TPSA) of 20.2 Ų, Neoheptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neoheptanol has 1 hydrogen bond donor(s) and 1 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 Neoheptanol?
The CAS number of Neoheptanol is 2370-12-9.
What is the molecular formula of Neoheptanol?
The molecular formula of Neoheptanol is C7H16O.
What is the molecular weight of Neoheptanol?
The molecular weight of Neoheptanol is 116.12 g/mol.
Where can I buy Neoheptanol?
You can request a quote for Neoheptanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoheptanol?
Yes, KEHONG BIO provides custom synthesis services for Neoheptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.