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CAS 463-00-3 4-GUANIDINOBUTYRIC ACID molecular structure lightbox
CAS RN: 463-00-3

4-GUANIDINOBUTYRIC ACID

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260419 1ml In stock Shanghai, Shandong Inquiry
Batchno.20250710 5ml In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251222 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS463-00-3
  • Purity/Analytical Methods: >99.0%
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463-00-3 / 4-(diaminomethylideneamino)butanoic acid

Standard CAS: 463-00-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
463-00-3
Multi CAS
Yes
Molecular Formula
C5H11N3O2
Molecular Weight
145.160000
Exact Mass
145.085127
InChI
InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
InChIKey
TUHVEAJXIMEOSA-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
3
Molar refractivity
37.55
TPSA
101.7

LogP / Solubility

WLOGP
-0.88
MLOGP
-0.78
XLogP3
-1.5
Consensus LogP
-1.05
Log S (ESOL)
0.08
Class (ESOL)
Highly soluble
Log S (Ali)
-0.12
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.36
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)
-4.23

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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