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CAS 269066-08-2 FMOC-ASP(ODMAB)-OH molecular structure lightbox
CAS RN: 269066-08-2

FMOC-ASP(ODMAB)-OH

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250414 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-125321
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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 269066-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

269066-08-2 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[[4-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]phenyl]methoxy]-4-oxobutanoic acid

Standard CAS: 269066-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
269066-08-2
Multi CAS
No
Molecular Formula
C39H42N2O8
Molecular Weight
666.800000
Exact Mass
666.294116
SMILES
CC(C)CC(=NC1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=C(CC(CC5=O)(C)C)O
InChI
InChI=1S/C39H42N2O8/c1-23(2)17-31(36-33(42)19-39(3,4)20-34(36)43)40-25-15-13-24(14-16-25)21-48-35(44)18-32(37(45)46)41-38(47)49-22-30-28-11-7-5-9-26(28)27-10-6-8-12-29(27)30/h5-16,23,30,32,42H,17-22H2,1-4H3,(H,41,47)(H,45,46)/t32-/m0/s1
InChIKey
RZOFMGBIWZZRKU-YTTGMZPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
18
Fraction Csp3
0.36
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
3
Molar refractivity
184.71
TPSA
151.59

LogP / Solubility

WLOGP
7.43
MLOGP
6.6
XLogP3
6.2
Consensus LogP
6.74
Log S (ESOL)
-8.14
Class (ESOL)
Insoluble
Log S (Ali)
-10.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.51

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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