Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester
TL;DR: Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester (CAS 100282-49-3) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.08696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-(3-chloro-4-methylphenyl)carbamate
Also Known As: tert-butyl N-(3-chloro-4-methylphenyl)carbamate, Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester, N-Boc-3-chloro-4-methylaniline, Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester (9CI), tert-Butyl (3-chloro-4-methylphenyl)carbamate
Technical Specifications
| Molecular Formula | C12H16ClNO2 |
| Molecular Weight | 241.08696 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.08696 Da |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)OC(C)(C)C)Cl |
| InChIKey | VPYCRWKAAFUDHE-UHFFFAOYSA-N |
Chemical Property Profile of Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester
Property Insights of Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester
The XLogP value of 4.1 indicates that Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester 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 Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester?
The CAS number of Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester is 100282-49-3.
What is the molecular formula of Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester?
The molecular formula of Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester is C12H16ClNO2.
What is the molecular weight of Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester?
The molecular weight of Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester is 241.08696 g/mol.
Where can I buy Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester?
You can request a quote for Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.