2,2-Dimethyl-4-propyl-4-heptanol
TL;DR: 2,2-Dimethyl-4-propyl-4-heptanol (CAS 501355-63-1) is a chemical compound with molecular formula C12H26O and molecular weight 186.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-4-propylheptan-4-ol
Also Known As: 4-neopentyl-heptanol-(4), 2,2-dimethyl-4-propylheptan-4-ol, 2,2-DIMETHYL-4-PROPYL-4-HEPTANOL
| Molecular Formula | C12H26O |
|---|---|
| Molecular Weight | 186.20 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.19836 |
| Heavy Atoms | 13 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 501355-63-1 |
|---|---|
| SMILES | CCCC(CCC)(CC(C)(C)C)O |
| InChIKey | ZCJMYPBBWDMPPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-4-propyl-4-heptanol (CAS 501355-63-1), with molecular formula C12H26O and molecular weight 186.20 g/mol. IUPAC: 2,2-dimethyl-4-propylheptan-4-ol.
Chemical Property Profile of 2,2-Dimethyl-4-propyl-4-heptanol
Property Insights of 2,2-Dimethyl-4-propyl-4-heptanol
The XLogP value of 4.0 indicates that 2,2-Dimethyl-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, 2,2-Dimethyl-4-propyl-4-heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-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 2,2-Dimethyl-4-propyl-4-heptanol?
The CAS number of 2,2-Dimethyl-4-propyl-4-heptanol is 501355-63-1.
What is the molecular formula of 2,2-Dimethyl-4-propyl-4-heptanol?
The molecular formula of 2,2-Dimethyl-4-propyl-4-heptanol is C12H26O.
What is the molecular weight of 2,2-Dimethyl-4-propyl-4-heptanol?
The molecular weight of 2,2-Dimethyl-4-propyl-4-heptanol is 186.20 g/mol.
Where can I buy 2,2-Dimethyl-4-propyl-4-heptanol?
You can request a quote for 2,2-Dimethyl-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 2,2-Dimethyl-4-propyl-4-heptanol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-4-propyl-4-heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.