t-Butyl carbanilate
TL;DR: t-Butyl carbanilate (CAS 176850-21-8) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-phenylcarbamate
Also Known As: N-Boc-aniline, tert-Butyl Phenylcarbamate, tert-Butyl N-Phenylcarbamate, t-Butyl carbanilate, tert-Butyl Carbanilate
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.11028 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.11028 Da |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
| SMILES | CC(C)(C)OC(=O)NC1=CC=CC=C1 |
| InChIKey | KZZHPWMVEVZEFG-UHFFFAOYSA-N |
Product Description
Applications: t-Butyl carbanilate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, t-Butyl carbanilate (CAS 176850-21-8) has the molecular formula C11H15NO2 and a molecular weight of 193.11 g/mol. Synonyms include N-Boc-aniline and tert-Butyl Phenylcarbamate.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of t-Butyl carbanilate
Property Insights of t-Butyl carbanilate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for t-Butyl carbanilate. With a topological polar surface area (TPSA) of 38.3 Ų, t-Butyl carbanilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, t-Butyl carbanilate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of t-Butyl carbanilate?
The CAS number of t-Butyl carbanilate is 176850-21-8.
What is the molecular formula of t-Butyl carbanilate?
The molecular formula of t-Butyl carbanilate is C11H15NO2.
What is the molecular weight of t-Butyl carbanilate?
The molecular weight of t-Butyl carbanilate is 193.11028 g/mol.
What are the applications of t-Butyl carbanilate?
t-Butyl carbanilate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy t-Butyl carbanilate?
You can request a quote for t-Butyl carbanilate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for t-Butyl carbanilate?
Yes, CoreyChem provides custom synthesis services for t-Butyl carbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.