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CAS 167015-11-4 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-D-cysteine molecular structure lightbox
CAS RN: 167015-11-4

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-D-cysteine

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250907 100g In stock Inquiry
Batchno.20250515 1g In stock Inquiry
Batchno.20260105 25g In stock Inquiry
Batchno.20251005 5g In stock Inquiry
  • Product code: SSC-072867
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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, 500g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 167015-11-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
100g >97% 5 In Stock Beijing Inquiry
500g >97% 2 In Stock Shanghai Inquiry

167015-11-4 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoic acid

Standard CAS: 167015-11-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
167015-11-4
Multi CAS
No
Molecular Formula
C37H31NO4S
Molecular Weight
585.700000
Exact Mass
585.197380
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C37H31NO4S/c39-35(40)34(38-36(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,(H,38,41)(H,39,40)/t34-/m1/s1
InChIKey
KLBPUVPNPAJWHZ-UUWRZZSWSA-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
171.29
TPSA
75.63

LogP / Solubility

WLOGP
7.7
MLOGP
6.83
XLogP3
8
Consensus LogP
7.51
Log S (ESOL)
-8.18
Class (ESOL)
Insoluble
Log S (Ali)
-9.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.82

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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