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CAS 85803-43-6 S-BENZYL-L-CYSTEINOL molecular structure lightbox
CAS RN: 85803-43-6

S-BENZYL-L-CYSTEINOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS85803-43-6
  • Purity/Analytical Methods: >99.0%
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85803-43-6 / 2-amino-3-benzylsulfanylpropan-1-ol

Standard CAS: 85803-43-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85803-43-6
Multi CAS
Yes
Molecular Formula
C10H15NOS
Molecular Weight
197.300000
Exact Mass
197.087435
InChI
InChI=1S/C10H15NOS/c11-10(6-12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2/t10-/m1/s1
InChIKey
AUOITUNWAPLMBM-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.67
TPSA
46.25

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
0.8
Consensus LogP
1.04
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

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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