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CAS 204384-71-4 (S)-FMOC-META-TYROSINE O-TERT-BUTYL ETHER molecular structure lightbox
CAS RN: 204384-71-4

(S)-FMOC-META-TYROSINE O-TERT-BUTYL ETHER

  • Product code: SSC-096150
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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 204384-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

204384-71-4 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Standard CAS: 204384-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204384-71-4
Multi CAS
No
Molecular Formula
C28H29NO5
Molecular Weight
459.500000
Exact Mass
459.204573
SMILES
CC(C)(C)OC1=CC=CC(=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C28H29NO5/c1-28(2,3)34-19-10-8-9-18(15-19)16-25(26(30)31)29-27(32)33-17-24-22-13-6-4-11-20(22)21-12-5-7-14-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)/t25-/m0/s1
InChIKey
MQMJCGGJNCHHJI-VWLOTQADSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
130.16
TPSA
84.86

LogP / Solubility

WLOGP
5.4
MLOGP
4.78
XLogP3
5.6
Consensus LogP
5.26
Log S (ESOL)
-6.02
Class (ESOL)
Insoluble
Log S (Ali)
-7.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.97
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)
-1.69

Drug-likeness / Medicinal Chemistry

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

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