4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
TL;DR: 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate (CAS 957041-74-6) is a chemical compound with molecular formula C13H13ClFN3O2 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate
Also Known As: 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate, (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate, (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate, (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethyl-pyrazol-4-yl)carbamate, (4-fluorophenyl)methylN-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
| Molecular Formula | C13H13ClFN3O2 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 3.26972 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.06802 |
| Heavy Atoms | 20 |
| Complexity | 625.2917 |
Chemical Identifiers
| CAS Number | 957041-74-6 |
|---|---|
| SMILES | CC1=NN(C(=C1NC(=O)OCC2=CC=C(C=C2)F)Cl)C |
Product Overview
4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate (CAS 957041-74-6), with molecular formula C13H13ClFN3O2 and molecular weight 297.07 g/mol. IUPAC: (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate.
Chemical Property Profile of 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
Property Insights of 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
The XLogP value of 3.26972 indicates that 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate has 1 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 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
The CAS number of 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate is 957041-74-6.
What is the molecular formula of 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
The molecular formula of 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate is C13H13ClFN3O2.
What is the molecular weight of 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
The molecular weight of 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate is 297.07 g/mol.
Where can I buy 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
You can request a quote for 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-fluorobenzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.