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CAS 5817-96-9 6H-Pyrrolo[2,3-d]pyrimidin-6-one, 5,7-dihydro- (8CI) molecular structure lightbox
CAS RN: 5817-96-9

6H-Pyrrolo[2,3-d]pyrimidin-6-one, 5,7-dihydro- (8CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-166402
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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: 0.25g
  • 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 5817-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

5817-96-9 / 5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

Standard CAS: 5817-96-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5817-96-9
Multi CAS
No
Molecular Formula
C6H5N3O
Molecular Weight
135.120000
Exact Mass
135.043262
InChI
InChI=1S/C6H5N3O/c10-5-1-4-2-7-3-8-6(4)9-5/h2-3H,1H2,(H,7,8,9,10)
InChIKey
NCIZQRMMYUHTDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.37
TPSA
54.88

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.03
XLogP3
-0.6
Consensus LogP
-0.22
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.51
Class (SILICOS-IT)
Very 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)
-3.56

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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