Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate
TL;DR: Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate (CAS 70485-37-9) is a chemical compound with molecular formula C39H38N4O5 and molecular weight 642.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) carbonate
Also Known As: EINECS 274-620-7, Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate, bis(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) carbonate, Bis(4-butyl-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrazol-3-yl) carbonate, 3H-Pyrazol-3-one, 5,5'-(carbonylbis(oxy))bis(4-butyl-1,2-dihydro-1,2-diphenyl-
| Molecular Formula | C39H38N4O5 |
|---|---|
| Molecular Weight | 642.28 g/mol |
| LogP | 7.8328 |
| Topological Polar Surface Area | 89.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 642.28424 |
| Heavy Atoms | 48 |
| Complexity | 1943.6635 |
Chemical Identifiers
| CAS Number | 70485-37-9 |
|---|---|
| SMILES | CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)OC4=C(C(=O)N(N4C5=CC=CC=C5)C6=CC=CC=C6)CCCC |
Product Overview
Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate (CAS 70485-37-9), with molecular formula C39H38N4O5 and molecular weight 642.28 g/mol. IUPAC: bis(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) carbonate.
Chemical Property Profile of Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate
Property Insights of Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate
The XLogP value of 7.8328 indicates that Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate. Following Lipinski's Rule of Five, Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate?
The CAS number of Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate is 70485-37-9.
What is the molecular formula of Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate?
The molecular formula of Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate is C39H38N4O5.
What is the molecular weight of Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate?
The molecular weight of Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate is 642.28 g/mol.
Where can I buy Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate?
You can request a quote for Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl) carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.