![N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea structure](/static/products/5151/515149-88-9.webp)
N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea
TL;DR: N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea (CAS 515149-88-9) is a chemical compound with molecular formula C23H29ClN4O and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
Also Known As: N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea, 1-(1-adamantyl)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea, 1-(Adamantan-1-yl)-3-(1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)urea, 1-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-tricyclo[3.3.1.1~3,7~]dec-1-ylurea, N/A
| Molecular Formula | C23H29ClN4O |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | 5.29194 |
| Topological Polar Surface Area | 58.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.203 |
| Heavy Atoms | 29 |
| Complexity | 915.0654 |
Chemical Identifiers
| CAS Number | 515149-88-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)NC34CC5CC(C3)CC(C5)C4 |
Product Overview
N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea (CAS 515149-88-9), with molecular formula C23H29ClN4O and molecular weight 412.20 g/mol. IUPAC: 1-(1-adamantyl)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea.
Chemical Property Profile of N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea
Property Insights of N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea
The XLogP value of 5.29194 indicates that N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.95 Ų, N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea?
The CAS number of N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea is 515149-88-9.
What is the molecular formula of N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea?
The molecular formula of N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea is C23H29ClN4O.
What is the molecular weight of N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea?
The molecular weight of N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea is 412.20 g/mol.
Where can I buy N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea?
You can request a quote for N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea?
Yes, KEHONG BIO provides custom synthesis services for N-(1-adamantyl)-N'-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.