三甲基丁烷
TL;DR: 三甲基丁烷 (CAS 464-06-2) is a chemical compound with molecular formula C7H16 and molecular weight 100.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三甲基丁烷
2,2,3-trimethylbutane
Also Known As: Triptan, 2,2,3-TRIMETHYLBUTANE, Triptane, trimethylbutane, Tryptamines
| Molecular Formula | C7H16 |
|---|---|
| Molecular Weight | 100.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 100.1252 |
| Heavy Atoms | 7 |
| Complexity | 45.0 |
| Vapor Pressure | 102.0 [mmHg] |
Chemical Identifiers
| CAS Number | 464-06-2 |
|---|---|
| SMILES | CC(C)C(C)(C)C |
| InChIKey | ZISSAWUMDACLOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三甲基丁烷 (CAS 464-06-2), with molecular formula C7H16 and molecular weight 100.13 g/mol. IUPAC: 2,2,3-trimethylbutane.
Chemical Property Profile of 三甲基丁烷
Property Insights of 三甲基丁烷
The XLogP value of 3.3 indicates that 三甲基丁烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 三甲基丁烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三甲基丁烷 has 0 hydrogen bond donor(s) and 0 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 三甲基丁烷?
The CAS number of 三甲基丁烷 is 464-06-2.
What is the molecular formula of 三甲基丁烷?
The molecular formula of 三甲基丁烷 is C7H16.
What is the molecular weight of 三甲基丁烷?
The molecular weight of 三甲基丁烷 is 100.13 g/mol.
Where can I buy 三甲基丁烷?
You can request a quote for 三甲基丁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三甲基丁烷?
Yes, KEHONG BIO provides custom synthesis services for 三甲基丁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.