CAS RN: 1369530-26-6
S-guanine alcohol
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.20250624 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1369530-26-6
- Purity/Analytical Methods: >99.0%
1369530-26-6 / 2-amino-9-[(2S)-4,4-diethoxy-2-(hydroxymethyl)butyl]-1H-purin-6-one
Basic Information
CAS
1369530-26-6
Multi CAS
No
Molecular Formula
C14H23N5O4
Molecular Weight
325.360000
Exact Mass
325.175004
SMILES
CCOC(C[C@@H](CN1C=NC2=C1N=C(NC2=O)N)CO)OCC
InChI
InChI=1S/C14H23N5O4/c1-3-22-10(23-4-2)5-9(7-20)6-19-8-16-11-12(19)17-14(15)18-13(11)21/h8-10,20H,3-7H2,1-2H3,(H3,15,17,18,21)/t9-/m0/s1
InChIKey
IDFDGVJRIDONQK-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.64
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
3
Molar refractivity
84.79
TPSA
128.28
LogP / Solubility
WLOGP
0.1
MLOGP
0.1
XLogP3
-0.7
Consensus LogP
-0.17
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-4.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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