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CAS 407600-14-0 1H-Purin-6-amine, 2-propyl- (9CI) molecular structure lightbox
CAS RN: 407600-14-0

1H-Purin-6-amine, 2-propyl- (9CI)

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251125 100mg Out of stock Inquiry
Batchno.20250415 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20260517 1g Out of stock Inquiry
Batchno.20250624 250mg In stock Shanghai, Tianjin Inquiry
  • Product code: starshine_CAS407600-14-0
  • Purity/Analytical Methods: >99.0%
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407600-14-0 / 2-propyl-7H-purin-6-amine

Standard CAS: 407600-14-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
407600-14-0
Multi CAS
No
Molecular Formula
C8H11N5
Molecular Weight
177.210000
Exact Mass
177.101445
InChI
InChI=1S/C8H11N5/c1-2-3-5-12-7(9)6-8(13-5)11-4-10-6/h4H,2-3H2,1H3,(H3,9,10,11,12,13)
InChIKey
USCCECGPGBGFOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.09
TPSA
80.48

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
0.9
Consensus LogP
0.86
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.17

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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