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CAS 590374-61-1 1H-Pyrrole-3-carbonitrile, 1-acetyl-2-amino-4,5-dihydro-4-oxo- (9CI) molecular structure lightbox
CAS RN: 590374-61-1

1H-Pyrrole-3-carbonitrile, 1-acetyl-2-amino-4,5-dihydro-4-oxo- (9CI)

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250825 1g In stock Shanghai Inquiry
Batchno.20251120 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-167416
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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, 5g, 0.1g, 0.25g
  • 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 590374-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 3 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry

590374-61-1 / 1-acetyl-3-hydroxy-5-imino-2H-pyrrole-4-carbonitrile

Standard CAS: 590374-61-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
590374-61-1
Multi CAS
No
Molecular Formula
C7H7N3O2
Molecular Weight
165.150000
Exact Mass
165.053826
InChI
InChI=1S/C7H7N3O2/c1-4(11)10-3-6(12)5(2-8)7(10)9/h9,12H,3H2,1H3
InChIKey
XGMZVERPNMZANJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.29
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.38
TPSA
88.18

LogP / Solubility

WLOGP
0.16
MLOGP
0.14
XLogP3
-0.5
Consensus LogP
-0.07
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61

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

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