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CAS 570410-72-9 “D-2’-Deoxyribofuranosyl-3-guanylurea(α/β-Mixture)” molecular structure lightbox
CAS RN: 570410-72-9

“D-2’-Deoxyribofuranosyl-3-guanylurea(α/β-Mixture)”

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250815 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS570410-72-9
  • Purity/Analytical Methods: >99.0%
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570410-72-9 / 1-(diaminomethylidene)-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]urea

Standard CAS: 570410-72-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
570410-72-9
Multi CAS
Yes
Molecular Formula
C7H14N4O4
Molecular Weight
218.210000
Exact Mass
218.101505
InChI
InChI=1S/C7H14N4O4/c8-6(9)11-7(14)10-5-1-3(13)4(2-12)15-5/h3-5,12-13H,1-2H2,(H5,8,9,10,11,14)/t3-,4+,5?/m0/s1
InChIKey
VGUQMXPKKFTIJO-PYHARJCCSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
5
Molar refractivity
50.71
TPSA
143.19

LogP / Solubility

WLOGP
-2.56
MLOGP
-2.25
XLogP3
-1.5
Consensus LogP
-2.1
Log S (ESOL)
0.55
Class (ESOL)
Highly soluble
Log S (Ali)
0.5
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.81
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)
-5.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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