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CAS 1261803-28-4 5-Pyrimidineaceticacid,2-chloro-,methylester molecular structure lightbox
CAS RN: 1261803-28-4

5-Pyrimidineaceticacid,2-chloro-,methylester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-032925
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1261803-28-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Beijing Inquiry

1261803-28-4 / methyl 2-(2-chloropyrimidin-5-yl)acetate

Standard CAS: 1261803-28-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261803-28-4
Multi CAS
No
Molecular Formula
C7H7ClN2O2
Molecular Weight
186.590000
Exact Mass
186.019605
SMILES
COC(=O)CC1=CN=C(N=C1)Cl
InChI
InChI=1S/C7H7ClN2O2/c1-12-6(11)2-5-3-9-7(8)10-4-5/h3-4H,2H2,1H3
InChIKey
VTQJWAISNWPPPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.76
TPSA
52.08

LogP / Solubility

WLOGP
0.85
MLOGP
0.74
XLogP3
1
Consensus LogP
0.86
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.26

Drug-likeness / Medicinal Chemistry

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

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