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CAS 202752-01-0 202752-01-0 molecular structure lightbox
CAS RN: 202752-01-0

202752-01-0

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260309 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-095455
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 202752-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry

202752-01-0 / 9H-fluoren-9-ylmethyl N-[(2R)-1-amino-1-oxo-3-tritylsulfanylpropan-2-yl]carbamate

Standard CAS: 202752-01-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202752-01-0
Multi CAS
No
Molecular Formula
C37H32N2O3S
Molecular Weight
584.700000
Exact Mass
584.213364
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)N)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C37H32N2O3S/c38-35(40)34(39-36(41)42-24-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)25-43-37(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H2,38,40)(H,39,41)/t34-/m0/s1
InChIKey
IXUUGVFOOBSVHX-UMSFTDKQSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
30
Fraction Csp3
0.14
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
172.85
TPSA
81.42

LogP / Solubility

WLOGP
7.1
MLOGP
6.3
XLogP3
7.4
Consensus LogP
6.93
Log S (ESOL)
-7.8
Class (ESOL)
Insoluble
Log S (Ali)
-9.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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