CAS RN: 79799-18-1
decahydro-2-quinolinecarboxylic acid
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.20251022 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS79799-18-1
- Purity/Analytical Methods: >99.0%
79799-18-1 / 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid
Basic Information
CAS
79799-18-1
Multi CAS
No
Molecular Formula
C10H17NO2
Molecular Weight
183.250000
Exact Mass
183.125929
InChI
InChI=1S/C10H17NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h7-9,11H,1-6H2,(H,12,13)
InChIKey
DIWCUPFNJXAUAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.54
TPSA
49.33
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
-0.7
Consensus LogP
0.63
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately 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)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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