CAS RN: 7147-74-2
1-(1H-benzoimidazol-2-yl)pentane-1,2,3,4,5-pentol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250829 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS7147-74-2
- Purity/Analytical Methods: >99.0%
7147-74-2 / 1-(1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
Basic Information
CAS
7147-74-2
Multi CAS
Yes
Molecular Formula
C12H16N2O5
Molecular Weight
268.270000
Exact Mass
268.105922
InChI
InChI=1S/C12H16N2O5/c15-5-8(16)9(17)10(18)11(19)12-13-6-3-1-2-4-7(6)14-12/h1-4,8-11,15-19H,5H2,(H,13,14)
InChIKey
LBMJXDRTHCOBGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
6
Molar refractivity
66.16
TPSA
129.83
LogP / Solubility
WLOGP
-1.33
MLOGP
-1.16
XLogP3
-1.9
Consensus LogP
-1.46
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
