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CAS 115520-21-3 FMOC-CYS(TRT)-OPFP molecular structure lightbox
CAS RN: 115520-21-3

FMOC-CYS(TRT)-OPFP

Product Availability

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6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260627 10g Out of stock Inquiry
Batchno.20250121 1g In stock Inquiry
Batchno.20251024 250mg In stock Inquiry
Batchno.20250219 25g Out of stock Inquiry
Batchno.20250823 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250819 1g / 5g / 10g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-015285
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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 115520-21-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

115520-21-3 / (2,3,4,5,6-pentafluorophenyl) (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoate

(2,3,4,5,6-pentafluorophenyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanyl-propanoate | SCHEMBL27446820 | Perfluorophenyl N-(((9H-fluoren-9-yl)methoxy)carbonyl)-S-trityl-D-cysteinate

Standard CAS: 115520-21-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
115520-21-3
Multi CAS
Yes
Molecular Formula
C43H30F5NO4S
Molecular Weight
751.800000
Exact Mass
751.181570
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)OC4=C(C(=C(C(=C4F)F)F)F)F)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C43H30F5NO4S/c44-35-36(45)38(47)40(39(48)37(35)46)53-41(50)34(49-42(51)52-24-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)25-54-43(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,49,51)/t34-/m0/s1
InChIKey
FDAUCYDVXIPBDR-UMSFTDKQSA-N
Synonyms
(2,3,4,5,6-pentafluorophenyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanyl-propanoate SCHEMBL27446820 Perfluorophenyl N-(((9H-fluoren-9-yl)methoxy)carbonyl)-S-trityl-D-cysteinate DB-080657 N|A-Fmoc-S-trityl-L-cysteine pentafluorophenyl ester

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
36
Fraction Csp3
0.12
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
1
Molar refractivity
195.53
TPSA
64.63

LogP / Solubility

WLOGP
9.92
MLOGP
8.8
XLogP3
10.4
Consensus LogP
9.71
Log S (ESOL)
-10.52
Class (ESOL)
Insoluble
Log S (Ali)
-12.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.1
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)
-0.26

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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