[email protected]
CAS 49808-20-0 6-Mercaptopurine disulfide molecular structure lightbox
CAS RN: 49808-20-0

6-Mercaptopurine disulfide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251031 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS49808-20-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

49808-20-0 / 6-(7H-purin-6-yldisulfanyl)-7H-purine

Standard CAS: 49808-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
49808-20-0
Multi CAS
No
Molecular Formula
C10H6N8S2
Molecular Weight
302.300000
Exact Mass
302.015685
InChI
InChI=1S/C10H6N8S2/c1-11-5-7(13-1)15-3-17-9(5)19-20-10-6-8(14-2-12-6)16-4-18-10/h1-4H,(H,11,13,15,17)(H,12,14,16,18)
InChIKey
ULNKLXSTZWVSJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
2
Molar refractivity
75.08
TPSA
108.92

LogP / Solubility

WLOGP
1.82
MLOGP
1.61
XLogP3
1.1
Consensus LogP
1.51
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us