Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1810-62-4 / 2,2,4,7-tetramethyl-1H-quinoline
Basic Information
CAS
1810-62-4
Multi CAS
No
Molecular Formula
C13H17N
Molecular Weight
187.280000
Exact Mass
187.136100
SMILES
CC1=CC2=C(C=C1)C(=CC(N2)(C)C)C
InChI
InChI=1S/C13H17N/c1-9-5-6-11-10(2)8-13(3,4)14-12(11)7-9/h5-8,14H,1-4H3
InChIKey
FUAAZWAMEVOHDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.53
TPSA
12.03
LogP / Solubility
WLOGP
3.6
MLOGP
3.17
XLogP3
3.1
Consensus LogP
3.29
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly 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)
-1.3
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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