tert-Butyl (3-fluoro-4-methylphenyl)carbamate
TL;DR: tert-Butyl (3-fluoro-4-methylphenyl)carbamate (CAS 494789-04-7) is a chemical compound with molecular formula C12H16FNO2 and molecular weight 225.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(3-fluoro-4-methylphenyl)carbamate
Also Known As: tert-Butyl (3-fluoro-4-methylphenyl)carbamate, tert-butyl N-(3-fluoro-4-methylphenyl)carbamate, 4579AJ, TERT-BUTYL 3-FLUORO-4-METHYLPHENYLCARBAMATE, (3-FLUORO-4-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
| Molecular Formula | C12H16FNO2 |
|---|---|
| Molecular Weight | 225.12 g/mol |
| LogP | 3.48112 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.1165 |
| Heavy Atoms | 16 |
| Complexity | 396.4955 |
Chemical Identifiers
| CAS Number | 494789-04-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)OC(C)(C)C)F |
Product Overview
tert-Butyl (3-fluoro-4-methylphenyl)carbamate (CAS 494789-04-7), with molecular formula C12H16FNO2 and molecular weight 225.12 g/mol. IUPAC: tert-butyl N-(3-fluoro-4-methylphenyl)carbamate.
Chemical Property Profile of tert-Butyl (3-fluoro-4-methylphenyl)carbamate
Property Insights of tert-Butyl (3-fluoro-4-methylphenyl)carbamate
The XLogP value of 3.48112 indicates that tert-Butyl (3-fluoro-4-methylphenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, tert-Butyl (3-fluoro-4-methylphenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl (3-fluoro-4-methylphenyl)carbamate 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 tert-Butyl (3-fluoro-4-methylphenyl)carbamate?
The CAS number of tert-Butyl (3-fluoro-4-methylphenyl)carbamate is 494789-04-7.
What is the molecular formula of tert-Butyl (3-fluoro-4-methylphenyl)carbamate?
The molecular formula of tert-Butyl (3-fluoro-4-methylphenyl)carbamate is C12H16FNO2.
What is the molecular weight of tert-Butyl (3-fluoro-4-methylphenyl)carbamate?
The molecular weight of tert-Butyl (3-fluoro-4-methylphenyl)carbamate is 225.12 g/mol.
Where can I buy tert-Butyl (3-fluoro-4-methylphenyl)carbamate?
You can request a quote for tert-Butyl (3-fluoro-4-methylphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl (3-fluoro-4-methylphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl (3-fluoro-4-methylphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.