4-Propyl-4-heptanol
TL;DR: 4-Propyl-4-heptanol (CAS 2198-72-3) is a chemical compound with molecular formula CCCC(CCC)(CCC)O and molecular weight 158.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propylheptan-4-ol
Also Known As: 4-propylheptan-4-ol, 4-Propyl-4-heptanol, 4-N-propyl-4-heptanol, Tripropylcarbinol, 4-Heptanol, 4-propyl-
| Molecular Formula | CCCC(CCC)(CCC)O |
|---|---|
| Molecular Weight | 158.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.16707 |
| Heavy Atoms | 11 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 2198-72-3 |
|---|---|
| SMILES | CCCC(CCC)(CCC)O |
| InChIKey | SJTPBRMACCDJPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Propyl-4-heptanol (CAS 2198-72-3), with molecular formula CCCC(CCC)(CCC)O and molecular weight 158.17 g/mol. IUPAC: 4-propylheptan-4-ol.
Chemical Property Profile of 4-Propyl-4-heptanol
Property Insights of 4-Propyl-4-heptanol
The XLogP value of 3.2 indicates that 4-Propyl-4-heptanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Propyl-4-heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Propyl-4-heptanol 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 4-Propyl-4-heptanol?
The CAS number of 4-Propyl-4-heptanol is 2198-72-3.
What is the molecular formula of 4-Propyl-4-heptanol?
The molecular formula of 4-Propyl-4-heptanol is CCCC(CCC)(CCC)O.
What is the molecular weight of 4-Propyl-4-heptanol?
The molecular weight of 4-Propyl-4-heptanol is 158.17 g/mol.
Where can I buy 4-Propyl-4-heptanol?
You can request a quote for 4-Propyl-4-heptanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Propyl-4-heptanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Propyl-4-heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.