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CAS 27486-87-9 AC-CYS(TRT)-OH molecular structure lightbox
CAS RN: 27486-87-9

AC-CYS(TRT)-OH

  • Product code: SSC-126853
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 27486-87-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

27486-87-9 / 2-acetamido-3-tritylsulfanylpropanoic acid

Standard CAS: 27486-87-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27486-87-9
Multi CAS
No
Molecular Formula
C24H23NO3S
Molecular Weight
405.500000
Exact Mass
405.139865
SMILES
CC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C24H23NO3S/c1-18(26)25-22(23(27)28)17-29-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3,(H,25,26)(H,27,28)
InChIKey
KCVPASSMLHHOIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
116.91
TPSA
66.4

LogP / Solubility

WLOGP
4.3
MLOGP
3.81
XLogP3
4.5
Consensus LogP
4.2
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.83
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

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

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