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CAS 14857-77-3 L-2-AMINO-4-SULFOBUTYRIC ACID molecular structure lightbox
CAS RN: 14857-77-3

L-2-AMINO-4-SULFOBUTYRIC ACID

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260430 100mg In stock Shanghai Inquiry
Batchno.20250819 25mg In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250731 100mg In stock Shanghai Inquiry
Batchno.20250617 25mg In stock Shanghai Inquiry
  • Product code: starshine_CAS14857-77-3
  • Purity/Analytical Methods: >99.0%
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14857-77-3 / (2S)-2-amino-4-sulfobutanoic acid

Standard CAS: 14857-77-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
14857-77-3
Multi CAS
No
Molecular Formula
C4H9NO5S
Molecular Weight
183.190000
Exact Mass
183.020144
SMILES
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
InChIKey
VBOQYPQEPHKASR-VKHMYHEASA-N

Physical Properties

Melting Point
261 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
36.64
TPSA
117.69

LogP / Solubility

WLOGP
-1.32
MLOGP
-1.17
XLogP3
-3.6
Consensus LogP
-2.03
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
-0.11
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.23
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)
-4.78

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
2

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