RefChem:901299
TL;DR: RefChem:901299 (CAS 33008-68-3) is a chemical compound with molecular formula C29H38Cl2N4O3 and molecular weight 560.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2,4-dichloro-6-methoxyphenyl)-5-oxo-4H-pyrazol-3-yl]-3-(4-dodecylphenyl)urea
Also Known As: 1-[1-(2,4-DICHLORO-6-METHOXYPHENYL)-4,5-DIHYDRO-5-OXO-1H-PYRAZOL-3-YL]-3-(4-DODECYLPHENYL)UREA, 1-(1-(2,4-Dichloro-6-methoxyphenyl)-5-oxo-2-pyrazolin-3-yl)-3-(p-dodecylphenyl)urea, 1-[1-(2,4-dichloro-6-methoxyphenyl)-5-oxo-4,5-dihydro-1h-pyrazol-3-yl]-3-(4-dodecylphenyl)urea, N-(1-(2,4-Dichloro-6-methoxylphenl)-4,5-dihydro-5-oxo-1H-pyrazol-3yl)-N'-(4-laurylphenyl)urea, Urea, N-(1-(2,4-dichloro-6-methoxyphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl)-N'-(4-dodecylphenyl)-
| Molecular Formula | C29H38Cl2N4O3 |
|---|---|
| Molecular Weight | 560.23 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 560.2321 |
| Heavy Atoms | 38 |
| Complexity | 760.0 |
Chemical Identifiers
| CAS Number | 33008-68-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)NC(=O)NC2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)Cl)OC |
| InChIKey | QKNRRHFGTUTFFW-UHFFFAOYSA-N |
Product Overview
RefChem:901299 (CAS 33008-68-3), with molecular formula C29H38Cl2N4O3 and molecular weight 560.23 g/mol. IUPAC: 1-[1-(2,4-dichloro-6-methoxyphenyl)-5-oxo-4H-pyrazol-3-yl]-3-(4-dodecylphenyl)urea.
Chemical Property Profile of RefChem:901299
Property Insights of RefChem:901299
The XLogP value of 9.4 indicates that RefChem:901299 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:901299. Following Lipinski's Rule of Five, RefChem:901299 has 2 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 RefChem:901299?
The CAS number of RefChem:901299 is 33008-68-3.
What is the molecular formula of RefChem:901299?
The molecular formula of RefChem:901299 is C29H38Cl2N4O3.
What is the molecular weight of RefChem:901299?
The molecular weight of RefChem:901299 is 560.23 g/mol.
Where can I buy RefChem:901299?
You can request a quote for RefChem:901299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:901299?
Yes, KEHONG BIO provides custom synthesis services for RefChem:901299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.