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CAS 1122-44-7 5-IODOCYTOSINE molecular structure lightbox
CAS RN: 1122-44-7

5-IODOCYTOSINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260618 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-012663
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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, 5g, 10g, 25g
  • Available purity: ＞97%
  • 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 1122-44-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

1122-44-7 / 6-amino-5-iodo-1H-pyrimidin-2-one

5-Iodocytosine | 4-Amino-5-iodo-2(1H)-pyrimidinone | DTXSID40149947

Standard CAS: 1122-44-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1122-44-7
Multi CAS
Yes
Molecular Formula
C4H4IN3O
Molecular Weight
237.000000
Exact Mass
236.939910
SMILES
C1=NC(=O)NC(=C1I)N
InChI
InChI=1S/C4H4IN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKey
UFVWJVAMULFOMC-UHFFFAOYSA-N
Synonyms
5-Iodocytosine 4-Amino-5-iodo-2(1H)-pyrimidinone DTXSID40149947 6-amino-5-iodo-2(1H)-Pyrimidinone RefChem:540289

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
-0.5
Consensus LogP
-0.19
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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