[email protected]
CAS 1196156-95-2 5-Chloro-2-ethynylpyriMidine molecular structure lightbox
CAS RN: 1196156-95-2

5-Chloro-2-ethynylpyriMidine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251207 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-020288
GET A QUOTE
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: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1196156-95-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

1196156-95-2 / 5-chloro-2-ethynylpyrimidine

5-Chloro-2-ethynylpyrimidine | Pyrimidine, 5-chloro-2-ethynyl- | MFCD13189795

Standard CAS: 1196156-95-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196156-95-2
Multi CAS
No
Molecular Formula
C6H3ClN2
Molecular Weight
138.550000
Exact Mass
137.998476
SMILES
C#CC1=NC=C(C=N1)Cl
InChI
InChI=1S/C6H3ClN2/c1-2-6-8-3-5(7)4-9-6/h1,3-4H
InChIKey
LTPMEHQKKDZOOH-UHFFFAOYSA-N
Synonyms
5-Chloro-2-ethynylpyrimidine Pyrimidine, 5-chloro-2-ethynyl- MFCD13189795 5-Chloro-2-ethynyl-pyrimidine SCHEMBL12804325

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.98
TPSA
25.78

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-2.78

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

Customers Also Viewed

Get In Touch

Contact Us