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CAS 1260616-47-4 Fmoc-2-methoxy-L-homophenylalanine molecular structure lightbox
CAS RN: 1260616-47-4

Fmoc-2-methoxy-L-homophenylalanine

  • Product code: SSC-031703
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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 1260616-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry

1260616-47-4 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2-methoxyphenyl)butanoic acid

Standard CAS: 1260616-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260616-47-4
Multi CAS
No
Molecular Formula
C26H25NO5
Molecular Weight
431.500000
Exact Mass
431.173273
SMILES
COC1=CC=CC=C1CC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H25NO5/c1-31-24-13-7-2-8-17(24)14-15-23(25(28)29)27-26(30)32-16-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h2-13,22-23H,14-16H2,1H3,(H,27,30)(H,28,29)/t23-/m0/s1
InChIKey
SUDSIQWKKDSTQE-QHCPKHFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
120.94
TPSA
84.86

LogP / Solubility

WLOGP
4.62
MLOGP
4.09
XLogP3
5
Consensus LogP
4.57
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.26
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)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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