CAS RN: 82650-07-5

L-Threonine hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS82650-07-5
  • Purity/Analytical Methods: >99.0%
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82650-07-5 / (2S,3R)-2-amino-3-hydroxybutanoic acid;hydrochloride

Standard CAS: 82650-07-5 Multi CAS: Yes

Basic Information

CAS
82650-07-5
Multi CAS
Yes
Molecular Formula
C4H10CLNO3
Molecular Weight
155.580000
Exact Mass
155.034921
InChI
InChI=1S/C4H9NO3.ClH/c1-2(6)3(5)4(7)8;/h2-3,6H,5H2,1H3,(H,7,8);1H/t2-,3+;/m1./s1
InChIKey
OFSUFJTYFFRWFD-MUWMCQJSSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.54
TPSA
83.55

LogP / Solubility

WLOGP
-0.8
MLOGP
-0.71
XLogP3
-0.8
Consensus LogP
-0.77
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
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)
-4.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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