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CAS 1131-35-7 4,6-Pteridinedione,2-amino-1,5,7,8-tetrahydro-(8CI,9CI) molecular structure lightbox
CAS RN: 1131-35-7

4,6-Pteridinedione,2-amino-1,5,7,8-tetrahydro-(8CI,9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250809 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1131-35-7
  • Purity/Analytical Methods: >99.0%
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1131-35-7 / 2-amino-3,5,7,8-tetrahydropteridine-4,6-dione

4,6-Pteridinedione, 2-amino-1,5,7,8-tetrahydro- | 2-Amino-1,5,7,8-tetrahydro-4,6-pteridinedione | DTXSID30150284

Standard CAS: 1131-35-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1131-35-7
Multi CAS
Yes
Molecular Formula
C6H7N5O2
Molecular Weight
181.150000
Exact Mass
181.059974
SMILES
C1C(=O)NC2=C(N1)N=C(NC2=O)N
InChI
InChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H2,(H,9,12)(H4,7,8,10,11,13)
InChIKey
JLRDKNBQJOODBP-UHFFFAOYSA-N
Synonyms
4,6-Pteridinedione, 2-amino-1,5,7,8-tetrahydro- 2-Amino-1,5,7,8-tetrahydro-4,6-pteridinedione DTXSID30150284 RefChem:96689 DTXCID5072775

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
5
H-bond donors
4
Molar refractivity
46.39
TPSA
112.9

LogP / Solubility

WLOGP
-1.28
MLOGP
-1.13
XLogP3
-1.9
Consensus LogP
-1.44
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.12
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.23
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)
-4.74

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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