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CAS 60115-45-9 S-2-NITROPHENYL-L-CYSTEINE molecular structure lightbox
CAS RN: 60115-45-9

S-2-NITROPHENYL-L-CYSTEINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260602 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS60115-45-9
  • Purity/Analytical Methods: >99.0%
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60115-45-9 / (2R)-2-amino-3-(2-nitrophenyl)sulfanylpropanoic acid

Standard CAS: 60115-45-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60115-45-9
Multi CAS
Yes
Molecular Formula
C9H10N2O4S
Molecular Weight
242.250000
Exact Mass
242.036128
InChI
InChI=1S/C9H10N2O4S/c10-6(9(12)13)5-16-8-4-2-1-3-7(8)11(14)15/h1-4,6H,5,10H2,(H,12,13)/t6-/m0/s1
InChIKey
NDZOOTLIHLSPMZ-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
59.43
TPSA
106.46

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
-1.3
Consensus LogP
0.26
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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