CAS RN: 3686-58-6
tolycaine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250622 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250528 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251115 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260402 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250714 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250213 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS3686-58-6
- Purity/Analytical Methods: >99.0%
3686-58-6 / methyl 2-[[2-(diethylamino)acetyl]amino]-3-methylbenzoate
Basic Information
CAS
3686-58-6
Multi CAS
No
Molecular Formula
C15H22N2O3
Molecular Weight
278.350000
Exact Mass
278.163043
InChI
InChI=1S/C15H22N2O3/c1-5-17(6-2)10-13(18)16-14-11(3)8-7-9-12(14)15(19)20-4/h7-9H,5-6,10H2,1-4H3,(H,16,18)
InChIKey
UDKICLZCJWQTLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.94
TPSA
58.64
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
2.7
Consensus LogP
2.19
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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