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CAS 375855-09-7 N-ACETYL-S-(4-NITROPHENYL)CYSTEINYLGLYCINE molecular structure lightbox
CAS RN: 375855-09-7

N-ACETYL-S-(4-NITROPHENYL)CYSTEINYLGLYCINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS375855-09-7
  • Purity/Analytical Methods: >99.0%
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375855-09-7 / 2-[[(2R)-2-acetamido-3-(4-nitrophenyl)sulfanylpropanoyl]amino]acetic acid

Standard CAS: 375855-09-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
375855-09-7
Multi CAS
Yes
Molecular Formula
C13H15N3O6S
Molecular Weight
341.340000
Exact Mass
341.068156
InChI
InChI=1S/C13H15N3O6S/c1-8(17)15-11(13(20)14-6-12(18)19)7-23-10-4-2-9(3-5-10)16(21)22/h2-5,11H,6-7H2,1H3,(H,14,20)(H,15,17)(H,18,19)/t11-/m0/s1
InChIKey
VTYTZXHLNVVKRI-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
3
Molar refractivity
82.07
TPSA
138.64

LogP / Solubility

WLOGP
0.39
MLOGP
0.36
XLogP3
0.6
Consensus LogP
0.45
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-4.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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