CAS RN: 537010-34-7
1-(4-CHLOROBENZYL)-1H-BENZIMIDAZOLE-2-CARBALDEHYDE
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.20260309 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS537010-34-7
- Purity/Analytical Methods: >99.0%
537010-34-7 / 1-[(4-chlorophenyl)methyl]benzimidazole-2-carbaldehyde
Basic Information
CAS
537010-34-7
Multi CAS
No
Molecular Formula
C15H11CLN2O
Molecular Weight
270.710000
Exact Mass
270.055991
InChI
InChI=1S/C15H11ClN2O/c16-12-7-5-11(6-8-12)9-18-14-4-2-1-3-13(14)17-15(18)10-19/h1-8,10H,9H2
InChIKey
DJARYSVCFCLLKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
75.67
TPSA
34.89
LogP / Solubility
WLOGP
3.55
MLOGP
3.13
XLogP3
3.5
Consensus LogP
3.39
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
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)
-1.85
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
-
-
-
5-(4-CHLOROPHENYL)-4-(2-FURYLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
- CAS RN: 537017-38-2
- Product Code: SSC-161095
-
-
-
N-Methyl-bis(trifluoromethanesulfonimide)
- CAS RN: 537031-78-0
- Product Code: starshine_CAS537031-78-0
- Purity/Analytical method: >99.0%
