CAS RN: 2303-35-7
(+)-MUSCARINE CHLORIDE
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS2303-35-7
- Purity/Analytical Methods: >99.0%
2303-35-7 / [(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium chloride
Basic Information
CAS
2303-35-7
Multi CAS
Yes
Molecular Formula
C9H20ClNO2
Molecular Weight
209.710000
Exact Mass
209.118257
InChI
InChI=1S/C9H20NO2.ClH/c1-7-9(11)5-8(12-7)6-10(2,3)4;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9+;/m0./s1
InChIKey
WUFRNEJYZWHXLC-CTERPIQNSA-M
Physical Properties
Melting Point
180-181 °C
Physical Description
Extremely hygroscopic solid; [Merck Index]
Appearance
STOUT PRISMS FROM ETHANOL + ACETONE
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.86
TPSA
29.46
LogP / Solubility
WLOGP
-2.77
MLOGP
-2.43
XLogP3
-2.77
Consensus LogP
-2.66
Log S (ESOL)
0.73
Class (ESOL)
Highly soluble
Log S (Ali)
0.72
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.03
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-5.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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- Purity/Analytical method: >99.0%
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