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CAS 6232-19-5 BETA-CYANO-L-ALANINE molecular structure lightbox
CAS RN: 6232-19-5

BETA-CYANO-L-ALANINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250112 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS6232-19-5
  • Purity/Analytical Methods: >99.0%
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6232-19-5 / 2-amino-3-cyanopropanoic acid

Standard CAS: 6232-19-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6232-19-5
Multi CAS
Yes
Molecular Formula
C4H6N2O2
Molecular Weight
114.100000
Exact Mass
114.042927
InChI
InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1
InChIKey
BXRLWGXPSRYJDZ-VKHMYHEASA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
25.84
TPSA
87.11

LogP / Solubility

WLOGP
-0.69
MLOGP
-0.62
XLogP3
-3.7
Consensus LogP
-1.67
Log S (ESOL)
0.02
Class (ESOL)
Highly soluble
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.07
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)
-3.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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