neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
TL;DR: neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate (CAS 956624-75-2) is a chemical compound with molecular formula C11H18ClN3O2 and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate
Also Known As: Bionet2_001181, neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate, 2,2-dimethylpropyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate, 12T-0266, 2,2-dimethylpropyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
| Molecular Formula | C11H18ClN3O2 |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 2.97652 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.10876 |
| Heavy Atoms | 17 |
| Complexity | 421.08643 |
Chemical Identifiers
| CAS Number | 956624-75-2 |
|---|---|
| SMILES | CC1=NN(C(=C1NC(=O)OCC(C)(C)C)Cl)C |
Product Overview
neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate (CAS 956624-75-2), with molecular formula C11H18ClN3O2 and molecular weight 259.11 g/mol. IUPAC: 2,2-dimethylpropyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate.
Chemical Property Profile of neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
Property Insights of neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
The XLogP value of 2.97652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate. With a topological polar surface area (TPSA) of 56.15 Ų, neopentyl 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, neopentyl 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 neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
The CAS number of neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate is 956624-75-2.
What is the molecular formula of neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
The molecular formula of neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate is C11H18ClN3O2.
What is the molecular weight of neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
The molecular weight of neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate is 259.11 g/mol.
Where can I buy neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
You can request a quote for neopentyl 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 neopentyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for neopentyl 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.