![Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate structure](/static/products/101/1016698-11-5.png)
Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate
TL;DR: Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate (CAS 1016698-11-5) is a chemical compound with molecular formula C15H21FN2O3 and molecular weight 296.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]carbamate
Also Known As: BB 0217555, Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate, tert-butyl N-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]carbamate, tert-butyl {3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropyl}carbamate
| Molecular Formula | C15H21FN2O3 |
|---|---|
| Molecular Weight | 296.15 g/mol |
| LogP | 2.98742 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.15363 |
| Heavy Atoms | 21 |
| Complexity | 524.14026 |
Chemical Identifiers
| CAS Number | 1016698-11-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)NC(=O)CCNC(=O)OC(C)(C)C |
Product Overview
Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate (CAS 1016698-11-5), with molecular formula C15H21FN2O3 and molecular weight 296.15 g/mol. IUPAC: tert-butyl N-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]carbamate.
Chemical Property Profile of Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate
Property Insights of Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate
The XLogP value of 2.98742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate. Following Lipinski's Rule of Five, Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate has 2 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 Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate?
The CAS number of Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate is 1016698-11-5.
What is the molecular formula of Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate?
The molecular formula of Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate is C15H21FN2O3.
What is the molecular weight of Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate?
The molecular weight of Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate is 296.15 g/mol.
Where can I buy Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate?
You can request a quote for Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate 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-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-[(4-fluoro-2-methylphenyl)amino]-3-oxopropylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.