CAS RN: 70371-56-1
(S)-(+)-2-(2,6-XYLIDINOMETHYL)PYRROLIDINE
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.20251222 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS70371-56-1
- Purity/Analytical Methods: >99.0%
70371-56-1 / 2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)aniline
Basic Information
CAS
70371-56-1
Multi CAS
Yes
Molecular Formula
C13H20N2
Molecular Weight
204.310000
Exact Mass
204.162649
InChI
InChI=1S/C13H20N2/c1-10-5-3-6-11(2)13(10)15-9-12-7-4-8-14-12/h3,5-6,12,14-15H,4,7-9H2,1-2H3/t12-/m0/s1
InChIKey
UWCWUCKPEYNDNV-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.43
TPSA
24.06
LogP / Solubility
WLOGP
2.47
MLOGP
2.17
XLogP3
2.8
Consensus LogP
2.48
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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