CAS RN: 1637773-61-5
2-Cyclopropyl-5-(3,5-dimethyl-4-isoxazolyl)-7-iodo-1H-benzimidazole
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.20251014 | 50mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1637773-61-5
- Purity/Analytical Methods: >99.0%
1637773-61-5 / 4-(2-cyclopropyl-7-iodo-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
Basic Information
CAS
1637773-61-5
Multi CAS
No
Molecular Formula
C15H14IN3O
Molecular Weight
379.200000
Exact Mass
379.018160
SMILES
CC1=C(C(=NO1)C)C2=CC3=C(C(=C2)I)N=C(N3)C4CC4
InChI
InChI=1S/C15H14IN3O/c1-7-13(8(2)20-19-7)10-5-11(16)14-12(6-10)17-15(18-14)9-3-4-9/h5-6,9H,3-4H2,1-2H3,(H,17,18)
InChIKey
NFZLOQMJLFTTGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
85.76
TPSA
54.71
LogP / Solubility
WLOGP
4.32
MLOGP
3.82
XLogP3
3.6
Consensus LogP
3.91
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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