CAS RN: 498-96-4
GUVACINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251125 | 10mg | Out of stock | Inquiry |
- Product code: starshine_CAS498-96-4
- Purity/Analytical Methods: >99.0%
498-96-4 / 1,2,3,6-tetrahydropyridine-5-carboxylic acid
Basic Information
CAS
498-96-4
Multi CAS
Yes
Molecular Formula
C6H9NO2
Molecular Weight
127.140000
Exact Mass
127.063329
InChI
InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)
InChIKey
QTDZOWFRBNTPQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.21
TPSA
49.33
LogP / Solubility
WLOGP
-0.01
MLOGP
-0.02
XLogP3
-2.5
Consensus LogP
-0.84
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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