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CAS 1263046-98-5 DDE-L-DAP(FMOC)-OH molecular structure lightbox
CAS RN: 1263046-98-5

DDE-L-DAP(FMOC)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250510 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-033292
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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 1263046-98-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1263046-98-5 / (2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]propanoic acid

Standard CAS: 1263046-98-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1263046-98-5
Multi CAS
No
Molecular Formula
C28H30N2O6
Molecular Weight
490.500000
Exact Mass
490.210387
SMILES
CC(=N[C@@H](CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O)C4=C(CC(CC4=O)(C)C)O
InChI
InChI=1S/C28H30N2O6/c1-16(25-23(31)12-28(2,3)13-24(25)32)30-22(26(33)34)14-29-27(35)36-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-22,31H,12-15H2,1-3H3,(H,29,35)(H,33,34)/t22-/m0/s1
InChIKey
RLKWTEXBXUEJRZ-QFIPXVFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
135.28
TPSA
125.29

LogP / Solubility

WLOGP
4.64
MLOGP
4.12
XLogP3
3.7
Consensus LogP
4.15
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.54
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)
-2.42

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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