CAS RN: 6550-19-2
(-)-NICOTINE MONO TARTRATE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS6550-19-2
- Purity/Analytical Methods: >99.0%
6550-19-2 / 2,3-dihydroxybutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine
Basic Information
CAS
6550-19-2
Multi CAS
Yes
Molecular Formula
C14H20N2O6
Molecular Weight
312.320000
Exact Mass
312.132136
InChI
InChI=1S/C10H14N2.C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKey
QLDPCHZQQIASHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
76.13
TPSA
131.19
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.23
XLogP3
-0.27
Consensus LogP
-0.26
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
Customers Also Viewed
-
-
-
-
-
-
MANGANESE(II) OXALATE
- CAS RN: 6556-16-7
- Product Code: starshine_CAS6556-16-7
- Purity/Analytical method: >99.0%
