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CAS 335654-08-5 2-chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one molecular structure lightbox
CAS RN: 335654-08-5

2-chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260311 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-139721
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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: 0.1g, 0.25g, 1g, 5g
  • 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 335654-08-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shanghai Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

335654-08-5 / 2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

Standard CAS: 335654-08-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
335654-08-5
Multi CAS
Yes
Molecular Formula
C6H4CLN3O
Molecular Weight
169.570000
Exact Mass
169.004290
InChI
InChI=1S/C6H4ClN3O/c7-6-8-2-3-1-4(11)9-5(3)10-6/h2H,1H2,(H,8,9,10,11)
InChIKey
HJWLJBJSDPPAFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.38
TPSA
54.88

LogP / Solubility

WLOGP
0.62
MLOGP
0.55
XLogP3
0.3
Consensus LogP
0.49
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-3.31

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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