![CAS 313402-16-3 3-(1H-BENZO[D]IMIDAZOL-2-YL)-4-CHLOROANILINE molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/313402-16-3.png)
CAS RN: 313402-16-3
3-(1H-BENZO[D]IMIDAZOL-2-YL)-4-CHLOROANILINE
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.20250709 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINH927132
313402-16-3 / 3-(1H-benzimidazol-2-yl)-4-chloroaniline
Basic Information
CAS
313402-16-3
Multi CAS
Yes
Molecular Formula
C13H10CLN3
Molecular Weight
243.690000
Exact Mass
243.056325
InChI
InChI=1S/C13H10ClN3/c14-10-6-5-8(15)7-9(10)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2,(H,16,17)
InChIKey
BGPSLCKBFGPVES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.95
TPSA
54.7
LogP / Solubility
WLOGP
3.47
MLOGP
3.05
XLogP3
2.6
Consensus LogP
3.04
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
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)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
3-(2,4-Difluorobenzyl)-1H-1,2,4-triazol-5(4H)-one
- CAS RN: 1344049-83-7
- Product Code: LIND905342
-
Boronic acid, [3-[[[(2,4-dimethoxyphenyl)methyl]amino]carbonyl]phenyl]- (9CI)
- CAS RN: 727396-17-0
- Product Code: LINB907367
-
-
3-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethoxy)propanoic acid
- CAS RN: 1654740-73-4
- Product Code: SSC-072274
-
3-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)thiophene
- CAS RN: 282540-12-9
- Product Code: SSC-129134
![CAS 727396-17-0 Boronic acid, [3-[[[(2,4-dimethoxyphenyl)methyl]amino]carbonyl]phenyl]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/727396-17-0.png)
