CAS RN: 49751-51-1
Garamine
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.20250528 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS49751-51-1
- Purity/Analytical Methods: >99.0%
49751-51-1 / (2R,3S,4R,5R)-2-[(1S,2R,3R,4S,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
Basic Information
CAS
49751-51-1
Multi CAS
Yes
Molecular Formula
C13H27N3O6
Molecular Weight
321.370000
Exact Mass
321.189986
InChI
InChI=1S/C13H27N3O6/c1-13(20)4-21-12(9(19)11(13)16-2)22-10-6(15)3-5(14)7(17)8(10)18/h5-12,16-20H,3-4,14-15H2,1-2H3/t5-,6+,7+,8-,9+,10-,11+,12+,13-/m0/s1
InChIKey
ONKJLIUSEXIAKL-QUDADGMASA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
7
Molar refractivity
76.67
TPSA
163.45
LogP / Solubility
WLOGP
-3.79
MLOGP
-3.32
XLogP3
-4.3
Consensus LogP
-3.8
Log S (ESOL)
0.75
Class (ESOL)
Highly soluble
Log S (Ali)
0.54
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.04
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)
-7.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
7
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