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CAS 3993-80-4 4-chloro-5-iodopyriMidin-2-aMine molecular structure lightbox
CAS RN: 3993-80-4

4-chloro-5-iodopyriMidin-2-aMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-147757
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3993-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

3993-80-4 / 4-chloro-5-iodopyrimidin-2-amine

Standard CAS: 3993-80-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3993-80-4
Multi CAS
No
Molecular Formula
C5H3LiN3
Molecular Weight
255.440000
Exact Mass
254.906020
InChI
InChI=1S/C4H3ClIN3/c5-3-2(6)1-8-4(7)9-3/h1H,(H2,7,8,9)
InChIKey
KCXIFTFXSFQXPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.17
TPSA
51.8

LogP / Solubility

WLOGP
1.32
MLOGP
1.17
XLogP3
1.5
Consensus LogP
1.33
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34

Drug-likeness / Medicinal Chemistry

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

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