CAS RN: 219694-63-0
Ingavirin
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.20250111 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS219694-63-0
- Purity/Analytical Methods: >99.0%
219694-63-0 / 5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
Basic Information
CAS
219694-63-0
Multi CAS
No
Molecular Formula
C10H15N3O3
Molecular Weight
225.240000
Exact Mass
225.111341
SMILES
C1=C(NC=N1)CCNC(=O)CCCC(=O)O
InChI
InChI=1S/C10H15N3O3/c14-9(2-1-3-10(15)16)12-5-4-8-6-11-7-13-8/h6-7H,1-5H2,(H,11,13)(H,12,14)(H,15,16)
InChIKey
KZIMLUFVKJLCCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
56.79
TPSA
95.08
LogP / Solubility
WLOGP
0.32
MLOGP
0.29
XLogP3
-0.7
Consensus LogP
-0.03
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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