对叔丁基苯基缩水甘油醚
TL;DR: 对叔丁基苯基缩水甘油醚 (CAS 3101-60-8) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对叔丁基苯基缩水甘油醚
2-[(4-tert-butylphenoxy)methyl]oxirane
Also Known As: 4-tert-Butylphenyl glycidyl ether, ARALDITE M, p-tert-Butylphenyl glycidyl ether, 2-[(4-tert-Butylphenoxy)methyl]oxirane, Heloxy 65
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 21.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
| Boiling Point | 329 to 170.0 °C at 14 mmHg |
| Density | 1.038 at 20.0 °C |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 101.7 °C |
Chemical Identifiers
| CAS Number | 3101-60-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC2CO2 |
| InChIKey | HHRACYLRBOUBKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对叔丁基苯基缩水甘油醚 (CAS 3101-60-8), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2-[(4-tert-butylphenoxy)methyl]oxirane.
Chemical Property Profile of 对叔丁基苯基缩水甘油醚
Property Insights of 对叔丁基苯基缩水甘油醚
The XLogP value of 3.3 indicates that 对叔丁基苯基缩水甘油醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.8 Ų, 对叔丁基苯基缩水甘油醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对叔丁基苯基缩水甘油醚 has 0 hydrogen bond donor(s) and 2 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 对叔丁基苯基缩水甘油醚?
The CAS number of 对叔丁基苯基缩水甘油醚 is 3101-60-8.
What is the molecular formula of 对叔丁基苯基缩水甘油醚?
The molecular formula of 对叔丁基苯基缩水甘油醚 is C13H18O2.
What is the molecular weight of 对叔丁基苯基缩水甘油醚?
The molecular weight of 对叔丁基苯基缩水甘油醚 is 206.13 g/mol.
Where can I buy 对叔丁基苯基缩水甘油醚?
You can request a quote for 对叔丁基苯基缩水甘油醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对叔丁基苯基缩水甘油醚?
Yes, KEHONG BIO provides custom synthesis services for 对叔丁基苯基缩水甘油醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.