[email protected]
CAS 56657-76-2 CYANOACETIC ACID-OSU molecular structure lightbox
CAS RN: 56657-76-2

CYANOACETIC ACID-OSU

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260628 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251012 1g In stock Shanghai Inquiry
Batchno.20250828 1g / 5g / 25g Out of stock 15 business days Inquiry
Batchno.20251128 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250512 500g Out of stock Inquiry
Batchno.20260112 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS56657-76-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

56657-76-2 / (2,5-dioxopyrrolidin-1-yl) 2-cyanoacetate

Standard CAS: 56657-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56657-76-2
Multi CAS
No
Molecular Formula
C7H6N2O4
Molecular Weight
182.130000
Exact Mass
182.032757
InChI
InChI=1S/C7H6N2O4/c8-4-3-7(12)13-9-5(10)1-2-6(9)11/h1-3H2
InChIKey
OZLIBRFWDOSHRS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
37.41
TPSA
87.47

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.44
XLogP3
-0.9
Consensus LogP
-0.61
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.18

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

Customers Also Viewed

Get In Touch

Contact Us