1,1-二甲基乙基4-乙烯基苯基碳酸酯
TL;DR: 1,1-二甲基乙基4-乙烯基苯基碳酸酯 (CAS 87188-51-0) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-二甲基乙基4-乙烯基苯基碳酸酯
tert-butyl (4-ethenylphenyl) carbonate
Also Known As: TBSM, 4-BOC-styrene, tert-Butyl 4-vinylphenyl carbonate, Carbonic acid, 1,1-dimethylethyl 4-ethenylphenyl ester, p-tert-butoxycarbonyloxystyrene
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 87188-51-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)OC1=CC=C(C=C1)C=C |
| InChIKey | GJWMYLFHBXEWNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-二甲基乙基4-乙烯基苯基碳酸酯 (CAS 87188-51-0), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: tert-butyl (4-ethenylphenyl) carbonate.
Chemical Property Profile of 1,1-二甲基乙基4-乙烯基苯基碳酸酯
Property Insights of 1,1-二甲基乙基4-乙烯基苯基碳酸酯
The XLogP value of 3.8 indicates that 1,1-二甲基乙基4-乙烯基苯基碳酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1,1-二甲基乙基4-乙烯基苯基碳酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-二甲基乙基4-乙烯基苯基碳酸酯 has 0 hydrogen bond donor(s) and 3 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 1,1-二甲基乙基4-乙烯基苯基碳酸酯?
The CAS number of 1,1-二甲基乙基4-乙烯基苯基碳酸酯 is 87188-51-0.
What is the molecular formula of 1,1-二甲基乙基4-乙烯基苯基碳酸酯?
The molecular formula of 1,1-二甲基乙基4-乙烯基苯基碳酸酯 is C13H16O3.
What is the molecular weight of 1,1-二甲基乙基4-乙烯基苯基碳酸酯?
The molecular weight of 1,1-二甲基乙基4-乙烯基苯基碳酸酯 is 220.11 g/mol.
Where can I buy 1,1-二甲基乙基4-乙烯基苯基碳酸酯?
You can request a quote for 1,1-二甲基乙基4-乙烯基苯基碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-二甲基乙基4-乙烯基苯基碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,1-二甲基乙基4-乙烯基苯基碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.