CAS RN: 36396-99-3
N6-CYCLOHEXYLADENOSINE
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS36396-99-3
- Purity/Analytical Methods: >99.0%
36396-99-3 / 2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Basic Information
CAS
36396-99-3
Multi CAS
Yes
Molecular Formula
C16H23N5O4
Molecular Weight
349.380000
Exact Mass
349.175004
InChI
InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
InChIKey
SZBULDQSDUXAPJ-XNIJJKJLSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
4
Molar refractivity
88.83
TPSA
125.55
LogP / Solubility
WLOGP
0.18
MLOGP
0.18
XLogP3
1.4
Consensus LogP
0.59
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-4.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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- CAS RN: 36401-55-5
- Product Code: starshine_CAS36401-55-5
- Purity/Analytical method: >99.0%
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