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CAS 3993-79-1 5-Iodoisocytosine molecular structure lightbox
CAS RN: 3993-79-1

5-Iodoisocytosine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260202 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS3993-79-1
  • Purity/Analytical Methods: >99.0%
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3993-79-1 / 2-amino-5-iodo-1H-pyrimidin-6-one

Standard CAS: 3993-79-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3993-79-1
Multi CAS
Yes
Molecular Formula
C4H4In3O
Molecular Weight
237.000000
Exact Mass
236.939910
InChI
InChI=1S/C4H4IN3O/c5-2-1-7-4(6)8-3(2)9/h1H,(H3,6,7,8,9)
InChIKey
COBXLVJRFXFFSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.99
TPSA
71.77

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.03
XLogP3
-0.6
Consensus LogP
-0.22
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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