[email protected]
CAS 17318-31-9 SQ 22536 molecular structure lightbox
CAS RN: 17318-31-9

SQ 22536

Product Availability

Choose a grade to view its available package options.

9 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260131 10mg / 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250305 100mg In stock Shanghai Inquiry
Batchno.20251004 10mg In stock Shanghai Inquiry
Batchno.20250522 1g Out of stock Inquiry
Batchno.20251019 1mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260131 250mg Out of stock Inquiry
Batchno.20251216 25mg In stock Shanghai, Wuhan Inquiry
Batchno.20250329 50mg In stock Shanghai, Wuhan Inquiry
Batchno.20260321 5mg In stock Shanghai Inquiry
  • Product code: ICTQ0105
  • Purity/Analytical Methods: >97.0%(GC)
GET A QUOTE

17318-31-9 / 9-(oxolan-2-yl)purin-6-amine

Standard CAS: 17318-31-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17318-31-9
Multi CAS
No
Molecular Formula
C9H11N5O
Molecular Weight
205.220000
Exact Mass
205.096360
SMILES
C1CC(OC1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C9H11N5O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h4-6H,1-3H2,(H2,10,11,12)
InChIKey
UKHMZCMKHPHFOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
53.96
TPSA
78.85

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
0.4
Consensus LogP
0.58
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us