2-丙基庚醇
TL;DR: 2-丙基庚醇 (CAS 10042-59-8) is a chemical compound with molecular formula C10H22O and molecular weight 158.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丙基庚醇
2-propylheptan-1-ol
Also Known As: 2-Propylheptan-1-ol, 2-Propylheptanol, 2-PROPYL-1-HEPTANOL, 1-Heptanol, 2-propyl-, 2-n-Propyl-1-Heptanol
| Molecular Formula | C10H22O |
|---|---|
| Molecular Weight | 158.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 158.16707 |
| Heavy Atoms | 11 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 10042-59-8 |
|---|---|
| SMILES | CCCCCC(CCC)CO |
| InChIKey | YLQLIQIAXYRMDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丙基庚醇 (CAS 10042-59-8), with molecular formula C10H22O and molecular weight 158.17 g/mol. IUPAC: 2-propylheptan-1-ol.
Chemical Property Profile of 2-丙基庚醇
Property Insights of 2-丙基庚醇
The XLogP value of 3.8 indicates that 2-丙基庚醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-丙基庚醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丙基庚醇 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 2-丙基庚醇?
The CAS number of 2-丙基庚醇 is 10042-59-8.
What is the molecular formula of 2-丙基庚醇?
The molecular formula of 2-丙基庚醇 is C10H22O.
What is the molecular weight of 2-丙基庚醇?
The molecular weight of 2-丙基庚醇 is 158.17 g/mol.
Where can I buy 2-丙基庚醇?
You can request a quote for 2-丙基庚醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丙基庚醇?
Yes, KEHONG BIO provides custom synthesis services for 2-丙基庚醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.