CAS RN: 1809102-39-3
(E)-3,5-dimethyl-4-(phenyldiazenyl)-1H-pyrazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251228 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1809102-39-3
- Purity/Analytical Methods: >99.0%
1809102-39-3 / (3,5-dimethyl-1H-pyrazol-4-yl)-phenyldiazene
Basic Information
CAS
1809102-39-3
Multi CAS
No
Molecular Formula
C11H12N4
Molecular Weight
200.240000
Exact Mass
200.106196
SMILES
CC1=C(C(=NN1)C)N=NC2=CC=CC=C2
InChI
InChI=1S/C11H12N4/c1-8-11(9(2)13-12-8)15-14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
InChIKey
SUJFLVSMVSJQDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.68
TPSA
53.4
LogP / Solubility
WLOGP
3.44
MLOGP
3.03
XLogP3
2.8
Consensus LogP
3.09
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-(4-bromophenyl)piperidine-4-carbonitrile hydrochloride
- CAS RN: 1809152-76-8
- Product Code: starshine_CAS1809152-76-8
- Purity/Analytical method: >99.0%
-
-
2-Oxo-2,4-dihydrobenzo[d][1,3]oxazine-7-boronic Acid Pinacol Ester
- CAS RN: 1809200-96-1
- Product Code: SSC-082208
-
Remdesivir
- CAS RN: 1809249-37-3
- Product Code: starshine_CAS1809249-37-3
- Purity/Analytical method: >99.0%
-
N1,N2-bis(4-hydroxy-2,6-dimethylphenyl)oxalamide
- CAS RN: 1809288-95-6
- Product Code: SSC-082213
-
Ethanediamide, N1,N2-bis(5-methyl[1,1′-biphenyl]-2-yl)-
- CAS RN: 1809289-04-0
- Product Code: SSC-082214
![CAS 1809200-96-1 2-Oxo-2,4-dihydrobenzo[d][1,3]oxazine-7-boronic Acid Pinacol Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1809200-96-1.gif)
![CAS 1809289-04-0 Ethanediamide, N1,N2-bis(5-methyl[1,1′-biphenyl]-2-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1809289-04-0.gif)