[email protected]
CAS 7126-56-9 3-Cyano-1H-pyrrole-2-carboxylic acid molecular structure lightbox
CAS RN: 7126-56-9

3-Cyano-1H-pyrrole-2-carboxylic acid

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260212 100mg Out of stock Inquiry
Batchno.20250307 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7126-56-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

7126-56-9 / 3-cyano-1H-pyrrole-2-carboxylic acid

Standard CAS: 7126-56-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7126-56-9
Multi CAS
Yes
Molecular Formula
C6H4N2O2
Molecular Weight
136.110000
Exact Mass
136.027277
InChI
InChI=1S/C6H4N2O2/c7-3-4-1-2-8-5(4)6(9)10/h1-2,8H,(H,9,10)
InChIKey
CNLGBNHSAZGLJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.47
TPSA
76.88

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
0.3
Consensus LogP
0.46
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3.14

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