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CAS 235788-61-1 FMOC-L-DAB(DDE)-OH molecular structure lightbox
CAS RN: 235788-61-1

FMOC-L-DAB(DDE)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250924 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-114696
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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: 5g
  • 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 235788-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

235788-61-1 / (2S)-4-[2-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

Standard CAS: 235788-61-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
235788-61-1
Multi CAS
No
Molecular Formula
C29H32N2O6
Molecular Weight
504.600000
Exact Mass
504.226037
SMILES
CC1(CC(=O)C(=CCNCC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)C1)C
InChI
InChI=1S/C29H32N2O6/c1-17(26-24(32)14-29(2,3)15-25(26)33)30-13-12-23(27(34)35)31-28(36)37-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,22-23,32H,12-16H2,1-3H3,(H,31,36)(H,34,35)/t23-/m0/s1
InChIKey
AFBHGOUICAXOQZ-QHCPKHFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
3
Molar refractivity
138.23
TPSA
121.8

LogP / Solubility

WLOGP
3.84
MLOGP
3.42
XLogP3
1.2
Consensus LogP
2.82
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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