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CAS 26908-94-1 D-2,4-Diaminobutyric acid molecular structure lightbox
CAS RN: 26908-94-1

D-2,4-Diaminobutyric acid

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250919 1g In stock Shanghai, Guangdong Inquiry
Batchno.20251004 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS26908-94-1
  • Purity/Analytical Methods: >99.0%
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26908-94-1 / 2,4-diaminobutanoic acid

Standard CAS: 26908-94-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
26908-94-1
Multi CAS
No
Molecular Formula
C4H10N2O2
Molecular Weight
118.130000
Exact Mass
118.074228
SMILES
C(CN)C(C(=O)O)N
InChI
InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m1/s1
InChIKey
OGNSCSPNOLGXSM-GSVOUGTGSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
29.28
TPSA
89.34

LogP / Solubility

WLOGP
-1.25
MLOGP
-1.11
XLogP3
-4.6
Consensus LogP
-2.32
Log S (ESOL)
0.41
Class (ESOL)
Highly soluble
Log S (Ali)
0.38
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.25
Class (SILICOS-IT)
Highly 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)
-4.33

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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