1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole
TL;DR: 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole (CAS 5334-53-2) is a chemical compound with molecular formula C22H26N2OS and molecular weight 366.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone
Also Known As: ChemDiv3_001444, KST-1B4948, BAS 00502425, IDI1_020410, 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole
| Molecular Formula | C22H26N2OS |
|---|---|
| Molecular Weight | 366.18 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.17657 |
| Heavy Atoms | 26 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 5334-53-2 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C23CC4CC(C2)CC(C4)C3)C)SC5=CC=CC=C5 |
| InChIKey | UMFNPXYRPNKXAQ-UHFFFAOYSA-N |
Product Overview
1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole (CAS 5334-53-2), with molecular formula C22H26N2OS and molecular weight 366.18 g/mol. IUPAC: 1-adamantyl-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone.
Chemical Property Profile of 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole
Property Insights of 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole
The XLogP value of 5.6 indicates that 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole. Following Lipinski's Rule of Five, 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole?
The CAS number of 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole is 5334-53-2.
What is the molecular formula of 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole?
The molecular formula of 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole is C22H26N2OS.
What is the molecular weight of 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole?
The molecular weight of 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole is 366.18 g/mol.
Where can I buy 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole?
You can request a quote for 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.