[email protected]
CAS 55286-05-0 2-chloro-7-methyl-7H-Purine molecular structure lightbox
CAS RN: 55286-05-0

2-chloro-7-methyl-7H-Purine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251227 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS55286-05-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

55286-05-0 / 2-chloro-7-methylpurine

Standard CAS: 55286-05-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55286-05-0
Multi CAS
No
Molecular Formula
C6H5CLN4
Molecular Weight
168.580000
Exact Mass
168.020274
InChI
InChI=1S/C6H5ClN4/c1-11-3-9-5-4(11)2-8-6(7)10-5/h2-3H,1H3
InChIKey
DFYLWHVIJWMKOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
41.31
TPSA
43.6

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
1
Consensus LogP
0.97
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us