三叔丁基甲醇
TL;DR: 三叔丁基甲醇 (CAS 41902-42-5) is a chemical compound with molecular formula C13H28O and molecular weight 200.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三叔丁基甲醇
3-tert-butyl-2,2,4,4-tetramethylpentan-3-ol
Also Known As: Tri-tert-butylmethanol, tri-t-butylcarbinol, Tri-tert-butylcarbinol, tris-tert-butanol, 3-(Tert-butyl)-2,2,4,4-tetramethylpentan-3-ol
| Molecular Formula | C13H28O |
|---|---|
| Molecular Weight | 200.21 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.21402 |
| Heavy Atoms | 14 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 41902-42-5 |
|---|---|
| SMILES | CC(C)(C)C(C(C)(C)C)(C(C)(C)C)O |
| InChIKey | LIUBOLYWYDGCSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三叔丁基甲醇 (CAS 41902-42-5), with molecular formula C13H28O and molecular weight 200.21 g/mol. IUPAC: 3-tert-butyl-2,2,4,4-tetramethylpentan-3-ol.
Chemical Property Profile of 三叔丁基甲醇
Property Insights of 三叔丁基甲醇
The XLogP value of 4.6 indicates that 三叔丁基甲醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 三叔丁基甲醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三叔丁基甲醇 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 三叔丁基甲醇?
The CAS number of 三叔丁基甲醇 is 41902-42-5.
What is the molecular formula of 三叔丁基甲醇?
The molecular formula of 三叔丁基甲醇 is C13H28O.
What is the molecular weight of 三叔丁基甲醇?
The molecular weight of 三叔丁基甲醇 is 200.21 g/mol.
Where can I buy 三叔丁基甲醇?
You can request a quote for 三叔丁基甲醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三叔丁基甲醇?
Yes, KEHONG BIO provides custom synthesis services for 三叔丁基甲醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.