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CAS 86392-74-7 2-AMINO-4-METHOXY-7-(BETA-D-2-DEOXYRIBOFURANOSYL)PYRROLO[2,3-D]PYRIMIDINE molecular structure lightbox
CAS RN: 86392-74-7

2-AMINO-4-METHOXY-7-(BETA-D-2-DEOXYRIBOFURANOSYL)PYRROLO[2,3-D]PYRIMIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250704 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS86392-74-7
  • Purity/Analytical Methods: >99.0%
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86392-74-7 / 5-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

Standard CAS: 86392-74-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86392-74-7
Multi CAS
Yes
Molecular Formula
C12H16N4O4
Molecular Weight
280.280000
Exact Mass
280.117155
InChI
InChI=1S/C12H16N4O4/c1-19-11-6-2-3-16(10(6)14-12(13)15-11)9-4-7(18)8(5-17)20-9/h2-3,7-9,17-18H,4-5H2,1H3,(H2,13,14,15)/t7-,8+,9+/m0/s1
InChIKey
FWGROSMSLLFCAQ-DJLDLDEBSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
3
Molar refractivity
70.11
TPSA
115.65

LogP / Solubility

WLOGP
-0.34
MLOGP
-0.29
XLogP3
-0.1
Consensus LogP
-0.24
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-4.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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