CAS RN: 623579-03-3
(2S,3R)-rel-1-Methyl-2-(3-pyridinyl)-3-pyrrolidinemethanamine
- Product code: SSC-171498
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 |
623579-03-3 / [(2S,3R)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
Basic Information
CAS
623579-03-3
Multi CAS
Yes
Molecular Formula
C11H17N3
Molecular Weight
191.270000
Exact Mass
191.142248
InChI
InChI=1S/C11H17N3/c1-14-6-4-9(7-12)11(14)10-3-2-5-13-8-10/h2-3,5,8-9,11H,4,6-7,12H2,1H3/t9-,11+/m0/s1
InChIKey
IUMCSWXAFXSTAI-GXSJLCMTSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.77
TPSA
42.15
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
0.2
Consensus LogP
0.71
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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