CAS RN: 1228077-88-0
(2R,2′R)-1,1′-Bis(2-pyridinylmethyl)-2,2′-bipyrrolidine tetrahydrochloride
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251113 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20260402 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250906 | 1g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250808 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: starshine_CAS1228077-88-0
- Purity/Analytical Methods: >99.0%
1228077-88-0 / 2-[[(2R)-2-[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
Basic Information
CAS
1228077-88-0
Multi CAS
No
Molecular Formula
C20H30Cl4N4
Molecular Weight
468.300000
Exact Mass
468.119508
SMILES
C1C[C@@H](N(C1)CC2=CC=CC=N2)[C@H]3CCCN3CC4=CC=CC=N4.Cl.Cl.Cl.Cl
InChI
InChI=1S/C20H26N4.4ClH/c1-3-11-21-17(7-1)15-23-13-5-9-19(23)20-10-6-14-24(20)16-18-8-2-4-12-22-18;;;;/h1-4,7-8,11-12,19-20H,5-6,9-10,13-16H2;4*1H/t19-,20-;;;;/m1..../s1
InChIKey
WTQUEUGYNCZETF-XQHCZWOQSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
124.33
TPSA
32.26
LogP / Solubility
WLOGP
4.79
MLOGP
4.25
XLogP3
4.79
Consensus LogP
4.61
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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