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CAS 111079-21-1 4,6-Dichloro-5-iodo-2-methylpyrimidine molecular structure lightbox
CAS RN: 111079-21-1

4,6-Dichloro-5-iodo-2-methylpyrimidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260204 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-011959
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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: 0.25g
  • 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 111079-21-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

111079-21-1 / 4,6-dichloro-5-iodo-2-methylpyrimidine

4,6-dichloro-5-iodo-2-methylpyrimidine | MFCD21743354 | 4,6-Dichloro-5-iodo-2-methyl-pyrimidine

Standard CAS: 111079-21-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
111079-21-1
Multi CAS
No
Molecular Formula
C5H3Cl2IN2
Molecular Weight
288.900000
Exact Mass
287.871800
SMILES
CC1=NC(=C(C(=N1)Cl)I)Cl
InChI
InChI=1S/C5H3Cl2IN2/c1-2-9-4(6)3(8)5(7)10-2/h1H3
InChIKey
ISBJSJIFFXXZQH-UHFFFAOYSA-N
Synonyms
4,6-dichloro-5-iodo-2-methylpyrimidine MFCD21743354 4,6-Dichloro-5-iodo-2-methyl-pyrimidine SCHEMBL10252220 AKOS015661106

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
49.51
TPSA
25.78

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
3.2
Consensus LogP
2.76
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly 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)
-2.57

Drug-likeness / Medicinal Chemistry

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

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