![CAS 96138-46-4 1-(3-Chlorophenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/96138-46-4.png)
CAS RN: 96138-46-4
1-(3-Chlorophenyl)-3,4-dimethylpyrano[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.20250914 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC889088
96138-46-4 / 1-(3-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
Basic Information
CAS
96138-46-4
Multi CAS
No
Molecular Formula
C14H11CLN2O2
Molecular Weight
274.700000
Exact Mass
274.050905
InChI
InChI=1S/C14H11ClN2O2/c1-8-6-12(18)19-14-13(8)9(2)16-17(14)11-5-3-4-10(15)7-11/h3-7H,1-2H3
InChIKey
PCYZCHDRKUBVSH-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
3.2
Consensus LogP
3.11
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
Customers Also Viewed
-
1-(3-Chlorophenyl)-5-fluoro-1,3-dihydro-2,1-benzoxaborole
- CAS RN: 845301-90-8
- Product Code: LINC929020
-
1-[(3-Chlorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
- CAS RN: 1415825-07-8
- Product Code: LINC905430
-
-
-
1-(4,5-Dihydrothiazol-2-yl)azetidine-3-thiol hydrochloride
- CAS RN: 179337-57-6
- Product Code: SSC-079909
-
Ethanone, 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenyl-
- CAS RN: 868280-61-9
- Product Code: LINE927148
![CAS 1415825-07-8 1-[(3-Chlorophenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1415825-07-8.png)
![CAS 868280-61-9 Ethanone, 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/868280-61-9.png)