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CAS 2052356-33-7 2-(Chloromethyl)-5-fluoropyrimidine hydrochloride molecular structure lightbox
CAS RN: 2052356-33-7

2-(Chloromethyl)-5-fluoropyrimidine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250220 1mg Out of stock 15 business days Inquiry
  • Product code: SSC-096549
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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 2052356-33-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2052356-33-7 / 2-(chloromethyl)-5-fluoropyrimidine;hydrochloride

Standard CAS: 2052356-33-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2052356-33-7
Multi CAS
No
Molecular Formula
C5H5Cl2FN2
Molecular Weight
183.010000
Exact Mass
181.981382
SMILES
C1=C(C=NC(=N1)CCl)F.Cl
InChI
InChI=1S/C5H4ClFN2.ClH/c6-1-5-8-2-4(7)3-9-5;/h2-3H,1H2;1H
InChIKey
MNXGMZCHQDGWOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.8
TPSA
25.78

LogP / Solubility

WLOGP
1.78
MLOGP
1.56
XLogP3
1.78
Consensus LogP
1.71
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

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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