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CAS 30377-37-8 6-amino-1H-purine-2,8(3H,7H)-dione molecular structure lightbox
CAS RN: 30377-37-8

6-amino-1H-purine-2,8(3H,7H)-dione

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260629 2.5mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260622 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS30377-37-8
  • Purity/Analytical Methods: >99.0%
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30377-37-8 / 6-amino-7,9-dihydro-1H-purine-2,8-dione

Standard CAS: 30377-37-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
30377-37-8
Multi CAS
Yes
Molecular Formula
C5H5N5O2
Molecular Weight
167.130000
Exact Mass
167.044324
InChI
InChI=1S/C5H5N5O2/c6-2-1-3(9-4(11)7-1)10-5(12)8-2/h(H5,6,7,8,9,10,11,12)
InChIKey
XFBOJHLYDJZYSP-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
4
Molar refractivity
41.75
TPSA
120.42

LogP / Solubility

WLOGP
-1.48
MLOGP
-1.3
XLogP3
-1.9
Consensus LogP
-1.56
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
0.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.48
Class (SILICOS-IT)
Highly 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)
-4.79

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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