[email protected]
CAS 789-61-7 6-THIO-2′-DEOXYGUANOSINE molecular structure lightbox
CAS RN: 789-61-7

6-THIO-2′-DEOXYGUANOSINE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251225 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS789-61-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

789-61-7 / 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione

Standard CAS: 789-61-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
789-61-7
Multi CAS
Yes
Molecular Formula
C10H13N5O3S
Molecular Weight
283.310000
Exact Mass
283.073910
InChI
InChI=1S/C10H13N5O3S/c11-10-13-8-7(9(19)14-10)12-3-15(8)6-1-4(17)5(2-16)18-6/h3-6,16-17H,1-2H2,(H3,11,13,14,19)/t4-,5+,6+/m0/s1
InChIKey
SCVJRXQHFJXZFZ-KVQBGUIXSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
4
Molar refractivity
68.74
TPSA
122.21

LogP / Solubility

WLOGP
-0.29
MLOGP
-0.24
XLogP3
-0.8
Consensus LogP
-0.44
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
Class (SILICOS-IT)
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)
-4.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us