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CAS 181311-44-4 FMOC-TRP(BOC)-OPFP molecular structure lightbox
CAS RN: 181311-44-4

FMOC-TRP(BOC)-OPFP

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251027 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-082449
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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: 1g
  • Available purity: ＞97%
  • 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 181311-44-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

181311-44-4 / tert-butyl 3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propyl]indole-1-carboxylate

Standard CAS: 181311-44-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
181311-44-4
Multi CAS
No
Molecular Formula
C37H29F5N2O6
Molecular Weight
692.600000
Exact Mass
692.194577
SMILES
CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C37H29F5N2O6/c1-37(2,3)50-36(47)44-17-19(20-10-8-9-15-27(20)44)16-26(34(45)49-33-31(41)29(39)28(38)30(40)32(33)42)43-35(46)48-18-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h4-15,17,25-26H,16,18H2,1-3H3,(H,43,46)/t26-/m0/s1
InChIKey
IDYZGIYCOLJXRE-SANMLTNESA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
27
Fraction Csp3
0.22
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
171.13
TPSA
95.86

LogP / Solubility

WLOGP
8.18
MLOGP
7.25
XLogP3
8.4
Consensus LogP
7.94
Log S (ESOL)
-9.22
Class (ESOL)
Insoluble
Log S (Ali)
-11.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.79
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)
-1.14

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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