[email protected]
CAS 21392-51-8 2-Amino-3-cyano-4,5-dimethylpyrrole molecular structure lightbox
CAS RN: 21392-51-8

2-Amino-3-cyano-4,5-dimethylpyrrole

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251008 1g In stock Inquiry
Batchno.20251108 250mg In stock Inquiry
Batchno.20260603 5g In stock Inquiry
  • Product code: SSC-102557
GET A QUOTE
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: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 21392-51-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

21392-51-8 / 2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile

Standard CAS: 21392-51-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21392-51-8
Multi CAS
No
Molecular Formula
C7H9N3
Molecular Weight
135.170000
Exact Mass
135.079647
SMILES
CC1=C(NC(=C1C#N)N)C
InChI
InChI=1S/C7H9N3/c1-4-5(2)10-7(9)6(4)3-8/h10H,9H2,1-2H3
InChIKey
QZVLATXNNPVXEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.29
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.39
TPSA
65.6

LogP / Solubility

WLOGP
1.09
MLOGP
0.95
XLogP3
1.4
Consensus LogP
1.15
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-2.77

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us