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CAS 1363381-59-2 5-Acetyl-4-Chloro-7H-pyrrolo[2,3-d]pyriMidine molecular structure lightbox
CAS RN: 1363381-59-2

5-Acetyl-4-Chloro-7H-pyrrolo[2,3-d]pyriMidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260627 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-045333
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 1363381-59-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

1363381-59-2 / 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone

Standard CAS: 1363381-59-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363381-59-2
Multi CAS
No
Molecular Formula
C8H6ClN3O
Molecular Weight
195.600000
Exact Mass
195.019940
SMILES
CC(=O)C1=CNC2=C1C(=NC=N2)Cl
InChI
InChI=1S/C8H6ClN3O/c1-4(13)5-2-10-8-6(5)7(9)11-3-12-8/h2-3H,1H3,(H,10,11,12)
InChIKey
KXOFBMPFLUKIJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.9
TPSA
58.64

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
1.3
Consensus LogP
1.57
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63

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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