![CAS 94213-24-8 (E)-3-[cyano(2,3-dichlorophenyl)methylene]carbazamidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/94213-24-8.gif)
CAS RN: 94213-24-8
(E)-3-[cyano(2,3-dichlorophenyl)methylene]carbazamidine
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.20260616 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS94213-24-8
- Purity/Analytical Methods: >99.0%
94213-24-8 / 2,3-dichloro-N-(diaminomethylideneamino)benzenecarboximidoyl cyanide
Basic Information
CAS
94213-24-8
Multi CAS
Yes
Molecular Formula
C9H7CL2N5
Molecular Weight
256.090000
Exact Mass
255.007851
InChI
InChI=1S/C9H7Cl2N5/c10-6-3-1-2-5(8(6)11)7(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16)/b15-7-
InChIKey
BXDSJOGMJUKSAE-CHHVJCJISA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.42
TPSA
100.55
LogP / Solubility
WLOGP
1.49
MLOGP
1.32
XLogP3
1.9
Consensus LogP
1.57
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
Gadolinium nitrate
- CAS RN: 94219-55-3
- Product Code: starshine_CAS94219-55-3
- Purity/Analytical method: >99.0%
-
-
-
-
1,4-Dihydro-7H-pyrazolo[4,3-b]pyridin-7-one
- CAS RN: 94220-42-5
- Product Code: starshine_CAS94220-42-5
- Purity/Analytical method: >99.0%
-
![CAS 94220-38-9 7-CHLORO-5-METHYL-1H-PYRAZOLO[4,3-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/94220-38-9.gif)
![CAS 94220-42-5 1,4-Dihydro-7H-pyrazolo[4,3-b]pyridin-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/94220-42-5.gif)
![CAS 94220-43-6 7-CHLORO-1-METHYL-1H-PYRAZOLO[4,3-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/94220-43-6.gif)