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CAS RN: 85094-37-7
5-Chloro-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6(1H)-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250602 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC889085
85094-37-7 / 5-chloro-3,4-dimethyl-1-phenylpyrano[3,2-d]pyrazol-6-one
Basic Information
CAS
85094-37-7
Multi CAS
No
Molecular Formula
C14H11CLN2O2
Molecular Weight
274.700000
Exact Mass
274.050905
InChI
InChI=1S/C14H11ClN2O2/c1-8-11-9(2)16-17(10-6-4-3-5-7-10)13(11)19-14(18)12(8)15/h3-7H,1-2H3
InChIKey
ASFLSTKFJDWSSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
74.09
TPSA
48.03
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
3.4
Consensus LogP
3.17
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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