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CAS 168471-22-5 FMOC-D-TRP(ME)-OH molecular structure lightbox
CAS RN: 168471-22-5

FMOC-D-TRP(ME)-OH

  • Product code: SSC-073413
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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, 10g
  • Available purity: ＞97%
  • Inventory rows with stock: 5
  • 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 168471-22-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Shanghai Inquiry
0.25g -- 2 In Stock Hong Kong Inquiry
1g -- 2 In Stock Beijing Inquiry
5g -- 2 In Stock Beijing Inquiry
10g -- 2 In Stock Shenzhen Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

168471-22-5 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-methylindol-3-yl)propanoic acid

Standard CAS: 168471-22-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168471-22-5
Multi CAS
No
Molecular Formula
C27H24N2O4
Molecular Weight
440.500000
Exact Mass
440.173607
SMILES
CN1C=C(C2=CC=CC=C21)C[C@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H24N2O4/c1-29-15-17(18-8-6-7-13-25(18)29)14-24(26(30)31)28-27(32)33-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-13,15,23-24H,14,16H2,1H3,(H,28,32)(H,30,31)/t24-/m1/s1
InChIKey
GDPXIUSEXJJUGT-XMMPIXPASA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
126.25
TPSA
80.56

LogP / Solubility

WLOGP
4.71
MLOGP
4.18
XLogP3
4.7
Consensus LogP
4.53
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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