![CAS 685107-38-4 4-METHYLPYRIMIDO[1,2-A]BENZIMIDAZOLE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/685107-38-4.gif)
CAS RN: 685107-38-4
4-METHYLPYRIMIDO[1,2-A]BENZIMIDAZOLE-3-CARBOXYLIC ACID
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.20250227 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS685107-38-4
- Purity/Analytical Methods: >99.0%
685107-38-4 / 4-methylpyrimido[1,2-a]benzimidazole-3-carboxylic acid
Basic Information
CAS
685107-38-4
Multi CAS
No
Molecular Formula
C12H9N3O2
Molecular Weight
227.220000
Exact Mass
227.069477
InChI
InChI=1S/C12H9N3O2/c1-7-8(11(16)17)6-13-12-14-9-4-2-3-5-10(9)15(7)12/h2-6H,1H3,(H,16,17)
InChIKey
SPUWGRXKFQCJJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.19
TPSA
67.49
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
2.5
Consensus LogP
2.02
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
[1,1′:4′,1”:3”,1”’:4”’,1””-Quinquephenyl]-4,4””-dicarbonitrile, 5”-(4′-cyano[1,1′-biphenyl]-4-yl)- (9CI)
- CAS RN: 685114-67-4
- Product Code: starshine_CAS685114-67-4
- Purity/Analytical method: >99.0%
-
1-(3,5-Dichloropyridin-4-yl)piperidine-4-carboxamide
- CAS RN: 685115-77-9
- Product Code: starshine_CAS685115-77-9
- Purity/Analytical method: >99.0%
-
SC-D
- CAS RN: 685121-45-3
- Product Code: starshine_CAS685121-45-3
- Purity/Analytical method: >99.0%
-
(5-bromo-2-(trifluoromethoxy)phenyl)methanol
- CAS RN: 685126-86-7
- Product Code: starshine_CAS685126-86-7
- Purity/Analytical method: >99.0%
![CAS 685114-67-4 [1,1′:4′,1”:3”,1”’:4”’,1””-Quinquephenyl]-4,4””-dicarbonitrile, 5”-(4′-cyano[1,1′-biphenyl]-4-yl)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/685114-67-4.gif)
