对叔丁基苯基甲基氨基甲酸酯
TL;DR: 对叔丁基苯基甲基氨基甲酸酯 (CAS 2626-83-7) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对叔丁基苯基甲基氨基甲酸酯
(4-tert-butylphenyl) N-methylcarbamate
Also Known As: p-tert-Butylphenyl methylcarbamate, 4-tert-butylphenyl methylcarbamate, para-phenyl-n-methylcarbamate, 4-tert-butylphenyl N-methylcarbamate, (4-tert-butylphenyl) N-methylcarbamate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 2626-83-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)NC |
| InChIKey | SQWINKDZQCVJNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对叔丁基苯基甲基氨基甲酸酯 (CAS 2626-83-7), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: (4-tert-butylphenyl) N-methylcarbamate.
Chemical Property Profile of 对叔丁基苯基甲基氨基甲酸酯
Property Insights of 对叔丁基苯基甲基氨基甲酸酯
The XLogP value of 3.1 indicates that 对叔丁基苯基甲基氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 对叔丁基苯基甲基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对叔丁基苯基甲基氨基甲酸酯 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
Frequently Asked Questions
What is the CAS number of 对叔丁基苯基甲基氨基甲酸酯?
The CAS number of 对叔丁基苯基甲基氨基甲酸酯 is 2626-83-7.
What is the molecular formula of 对叔丁基苯基甲基氨基甲酸酯?
The molecular formula of 对叔丁基苯基甲基氨基甲酸酯 is C12H17NO2.
What is the molecular weight of 对叔丁基苯基甲基氨基甲酸酯?
The molecular weight of 对叔丁基苯基甲基氨基甲酸酯 is 207.13 g/mol.
Where can I buy 对叔丁基苯基甲基氨基甲酸酯?
You can request a quote for 对叔丁基苯基甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对叔丁基苯基甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 对叔丁基苯基甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.