CAS RN: 146350-91-6
1H-Benzimidazole,2-(cyclopentylmethyl)-(9CI)
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.20260417 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS146350-91-6
- Purity/Analytical Methods: >99.0%
146350-91-6 / 2-(cyclopentylmethyl)-1H-benzimidazole
Basic Information
CAS
146350-91-6
Multi CAS
No
Molecular Formula
C13H16N2
Molecular Weight
200.280000
Exact Mass
200.131349
SMILES
C1CCC(C1)CC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H16N2/c1-2-6-10(5-1)9-13-14-11-7-3-4-8-12(11)15-13/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15)
InChIKey
DJDWRUJAWNBYCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.76
TPSA
28.68
LogP / Solubility
WLOGP
3.3
MLOGP
2.9
XLogP3
3.8
Consensus LogP
3.33
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-1.6
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
-
![CAS 146351-72-6 2-[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]ACETIC ACID METHYL ESTER molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]ACETIC ACID METHYL ESTER
- CAS RN: 146351-72-6
- Product Code: SSC-057419
-
3-Pyridinecarbonitrile, 6-amino-5-formyl- (9CI)
- CAS RN: 146356-11-8
- Product Code: starshine_CAS146356-11-8
- Purity/Analytical method: >99.0%
-
SR 48692
- CAS RN: 146362-70-1
- Product Code: starshine_CAS146362-70-1
- Purity/Analytical method: >99.0%
-
1-Ethyl-2,3,3-Trimethyl-Indoleninium-5-Sulfonate
- CAS RN: 146368-07-2
- Product Code: SSC-057423
-
1-(5-Carboxypentyl)-2,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
- CAS RN: 146368-08-3
- Product Code: SSC-057424
-
![CAS 146351-72-6 2-[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]ACETIC ACID METHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/146351-72-6.gif)
