CAS RN: 22048-88-0
1,2,3,4-TETRAHYDROQUINOLINE-7-CARBOXYLIC ACID
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260607 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS22048-88-0
- Purity/Analytical Methods: >99.0%
22048-88-0 / 1,2,3,4-tetrahydroquinoline-7-carboxylic acid
Basic Information
CAS
22048-88-0
Multi CAS
No
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
SMILES
C1CC2=C(C=C(C=C2)C(=O)O)NC1
InChI
InChI=1S/C10H11NO2/c12-10(13)8-4-3-7-2-1-5-11-9(7)6-8/h3-4,6,11H,1-2,5H2,(H,12,13)
InChIKey
JWFQTXPQWRCFMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.21
TPSA
49.33
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
1.8
Consensus LogP
1.69
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.56
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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