![CAS 713530-56-4 6-BROMO-2-METHYL-4-NITRO-1H-BENZO[D]IMIDAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/713530-56-4.gif)
CAS RN: 713530-56-4
6-BROMO-2-METHYL-4-NITRO-1H-BENZO[D]IMIDAZOLE
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.20260224 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS713530-56-4
- Purity/Analytical Methods: >99.0%
713530-56-4 / 6-bromo-2-methyl-4-nitro-1H-benzimidazole
Basic Information
CAS
713530-56-4
Multi CAS
No
Molecular Formula
BC8H6O2Rn3
Molecular Weight
256.060000
Exact Mass
254.964340
InChI
InChI=1S/C8H6BrN3O2/c1-4-10-6-2-5(9)3-7(12(13)14)8(6)11-4/h2-3H,1H3,(H,10,11)
InChIKey
VEFNVMSUKDCQDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.19
TPSA
71.82
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly 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)
-2.48
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
-
![CAS 714194-68-0 Octahydro-cyclopenta[c]pyrrole-1-carboxylic acid tert-butyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Octahydro-cyclopenta[c]pyrrole-1-carboxylic acid tert-butyl ester
- CAS RN: 714194-68-0
- Product Code: starshine_CAS714194-68-0
- Purity/Analytical method: >99.0%
-
1-(3-BROMOPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID
- CAS RN: 714207-41-7
- Product Code: SSC-181009
-
2-{[(4-chlorophenyl)methyl]amino}-6-methyl-3,4-dihydropyrimidin-4-one
- CAS RN: 714214-12-7
- Product Code: starshine_CAS714214-12-7
- Purity/Analytical method: >99.0%
-
AdvantaMe
- CAS RN: 714229-20-6
- Product Code: starshine_CAS714229-20-6
- Purity/Analytical method: >99.0%
-
-
![CAS 714194-68-0 Octahydro-cyclopenta[c]pyrrole-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/714194-68-0.gif)
![CAS 714214-12-7 2-{[(4-chlorophenyl)methyl]amino}-6-methyl-3,4-dihydropyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/714214-12-7.gif)
