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CAS 2490159-62-9 L-Phenylalanine, N-ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-methyl- molecular structure lightbox
CAS RN: 2490159-62-9

L-Phenylalanine, N-ethyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-methyl-

  • Product code: SSC-120128
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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: >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 2490159-62-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

2490159-62-9 / (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-3-(4-methylphenyl)propanoic acid

Standard CAS: 2490159-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2490159-62-9
Multi CAS
No
Molecular Formula
C27H27NO4
Molecular Weight
429.500000
Exact Mass
429.194008
SMILES
CCN([C@@H](CC1=CC=C(C=C1)C)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H27NO4/c1-3-28(25(26(29)30)16-19-14-12-18(2)13-15-19)27(31)32-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,3,16-17H2,1-2H3,(H,29,30)/t25-/m0/s1
InChIKey
CZMWSWHQFZWAHZ-VWLOTQADSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
123.76
TPSA
66.84

LogP / Solubility

WLOGP
5.26
MLOGP
4.66
XLogP3
5.6
Consensus LogP
5.17
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.66
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6

Drug-likeness / Medicinal Chemistry

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

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