CAS RN: 325850-26-8
1-(3-Chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260525 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS325850-26-8
- Purity/Analytical Methods: >99.0%
325850-26-8 / 1-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
Basic Information
CAS
325850-26-8
Multi CAS
No
Molecular Formula
C18H17CLN4O2
Molecular Weight
356.800000
Exact Mass
356.104004
InChI
InChI=1S/C18H17ClN4O2/c1-12-16(21-18(25)20-14-8-6-7-13(19)11-14)17(24)23(22(12)2)15-9-4-3-5-10-15/h3-11H,1-2H3,(H2,20,21,25)
InChIKey
LYGPQBMQOCCMSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
99.84
TPSA
68.06
LogP / Solubility
WLOGP
3.78
MLOGP
3.35
XLogP3
2
Consensus LogP
3.04
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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