1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
TL;DR: 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (CAS 330662-83-4) is a chemical compound with molecular formula C28H32N2O3 and molecular weight 444.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
Also Known As: BAS 00434267, UPCMLD0ENAT0505-4781:001, 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole, (3r,5r,7r)-adamantan-1-yl(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)methanone, F0122-0051
| Molecular Formula | C28H32N2O3 |
|---|---|
| Molecular Weight | 444.24 g/mol |
| LogP | 5.5979 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.2413 |
| Heavy Atoms | 33 |
| Complexity | 1038.0421 |
Chemical Identifiers
| CAS Number | 330662-83-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)OC |
Product Overview
1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (CAS 330662-83-4), with molecular formula C28H32N2O3 and molecular weight 444.24 g/mol. IUPAC: 1-adamantyl-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone.
Chemical Property Profile of 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
Property Insights of 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
The XLogP value of 5.5979 indicates that 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The CAS number of 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole is 330662-83-4.
What is the molecular formula of 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The molecular formula of 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole is C28H32N2O3.
What is the molecular weight of 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The molecular weight of 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole is 444.24 g/mol.
Where can I buy 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
You can request a quote for 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-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-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(adamantane-1-carbonyl)-3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.