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CAS 15297-43-5 S-TritylcysteaMine Hydrochloride molecular structure lightbox
CAS RN: 15297-43-5

S-TritylcysteaMine Hydrochloride

  • Product code: SSC-062600
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 15297-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

15297-43-5 / 2-tritylsulfanylethanamine;hydrochloride

Standard CAS: 15297-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15297-43-5
Multi CAS
No
Molecular Formula
C21H22ClNS
Molecular Weight
355.900000
Exact Mass
355.116149
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCN.Cl
InChI
InChI=1S/C21H21NS.ClH/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17,22H2;1H
InChIKey
SLSXAHLRIYRHBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
107.97
TPSA
26.02

LogP / Solubility

WLOGP
5.09
MLOGP
4.5
XLogP3
5.09
Consensus LogP
4.89
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.92
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)
-1.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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