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CAS 938-85-2 1-METHYLGUANINE molecular structure lightbox
CAS RN: 938-85-2

1-METHYLGUANINE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250311 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260529 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250201 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS938-85-2
  • Purity/Analytical Methods: >99.0%
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938-85-2 / 2-amino-1-methyl-7H-purin-6-one

Standard CAS: 938-85-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
938-85-2
Multi CAS
Yes
Molecular Formula
C6H7N5O
Molecular Weight
165.150000
Exact Mass
165.065060
InChI
InChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9)
InChIKey
RFLVMTUMFYRZCB-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
5
H-bond donors
2
Molar refractivity
43.54
TPSA
89.59

LogP / Solubility

WLOGP
-0.76
MLOGP
-0.67
XLogP3
-0.9
Consensus LogP
-0.78
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.27

Drug-likeness / Medicinal Chemistry

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

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