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CAS 1443421-68-8 Abacavir Impurity F molecular structure lightbox
CAS RN: 1443421-68-8

Abacavir Impurity F

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260610 25mg / 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1443421-68-8
  • Purity/Analytical Methods: >99.0%
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1443421-68-8 / 6-N-cyclopropyl-9-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purine-2,6-diamine

Standard CAS: 1443421-68-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1443421-68-8
Multi CAS
No
Molecular Formula
C18H26N6O
Molecular Weight
342.400000
Exact Mass
342.216809
SMILES
CC(C)(C)OC[C@H]1C[C@H](C=C1)N2C=NC3=C(N=C(N=C32)N)NC4CC4
InChI
InChI=1S/C18H26N6O/c1-18(2,3)25-9-11-4-7-13(8-11)24-10-20-14-15(21-12-5-6-12)22-17(19)23-16(14)24/h4,7,10-13H,5-6,8-9H2,1-3H3,(H3,19,21,22,23)/t11-,13+/m1/s1
InChIKey
GUTJAVLKEBLQJK-YPMHNXCESA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.61
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
98.37
TPSA
90.88

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
2.4
Consensus LogP
2.63
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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