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CAS 84176-65-8 2,4-DIAMINO-6,7-DIISOPROPYLPTERIDINE PHOSPHATE SALT molecular structure lightbox
CAS RN: 84176-65-8

2,4-DIAMINO-6,7-DIISOPROPYLPTERIDINE PHOSPHATE SALT

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250525 1g Out of stock Inquiry
Batchno.20260203 250mg In stock Inquiry
Batchno.20250508 50mg In stock Inquiry
  • Product code: starshine_CAS84176-65-8
  • Purity/Analytical Methods: >99.0%
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84176-65-8 / 6,7-di(propan-2-yl)pteridine-2,4-diamine;phosphoric acid

Standard CAS: 84176-65-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84176-65-8
Multi CAS
Yes
Molecular Formula
C12H21N6O4P
Molecular Weight
344.310000
Exact Mass
344.136190
InChI
InChI=1S/C12H18N6.H3O4P/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11;1-5(2,3)4/h5-6H,1-4H3,(H4,13,14,16,17,18);(H3,1,2,3,4)
InChIKey
YNQBQYASRYRNRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
5
Molar refractivity
86.39
TPSA
181.36

LogP / Solubility

WLOGP
0.9
MLOGP
0.81
XLogP3
0.9
Consensus LogP
0.87
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-4.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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