CAS RN: 250736-84-6

O-Acetyl-L-homoserine Hydrochloride

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260116 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS250736-84-6
  • Purity/Analytical Methods: >99.0%
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250736-84-6 / [(1S)-3-acetyloxy-1-carboxypropyl]azanium chloride

Standard CAS: 250736-84-6 Multi CAS: No

Basic Information

CAS
250736-84-6
Multi CAS
No
Molecular Formula
C6H12ClNO4
Molecular Weight
197.620000
Exact Mass
197.045486
SMILES
CC(=O)OCC[C@@H](C(=O)O)[NH3+].[Cl-]
InChI
InChI=1S/C6H11NO4.ClH/c1-4(8)11-3-2-5(7)6(9)10;/h5H,2-3,7H2,1H3,(H,9,10);1H/t5-;/m0./s1
InChIKey
LFZHWEFUZURWRL-JEDNCBNOSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
35.56
TPSA
91.24

LogP / Solubility

WLOGP
-4.36
MLOGP
-3.84
XLogP3
-4.36
Consensus LogP
-4.19
Log S (ESOL)
1.95
Class (ESOL)
Highly soluble
Log S (Ali)
1.97
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.2
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)
-7.02

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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