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CAS 252049-08-4 FMOC-DAB(Z)-OH molecular structure lightbox
CAS RN: 252049-08-4

FMOC-DAB(Z)-OH

  • Product code: SSC-120940
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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: 25g
  • 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 252049-08-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

252049-08-4 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(phenylmethoxycarbonylamino)butanoic acid

Standard CAS: 252049-08-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252049-08-4
Multi CAS
No
Molecular Formula
C27H26N2O6
Molecular Weight
474.500000
Exact Mass
474.179087
SMILES
C1=CC=C(C=C1)COC(=O)NCC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H26N2O6/c30-25(31)24(14-15-28-26(32)34-16-18-8-2-1-3-9-18)29-27(33)35-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,28,32)(H,29,33)(H,30,31)/t24-/m0/s1
InChIKey
VHBSCTCUNZLWCT-DEOSSOPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
128.88
TPSA
113.96

LogP / Solubility

WLOGP
4.29
MLOGP
3.81
XLogP3
4.3
Consensus LogP
4.13
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.57

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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