[email protected]
CAS 1263045-85-7 DDE-L-DAB(FMOC)-OH molecular structure lightbox
CAS RN: 1263045-85-7

DDE-L-DAB(FMOC)-OH

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260612 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250811 1g In stock Shanghai Inquiry
Batchno.20260221 200mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-033285
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 0.25g, 25g
  • Available purity: >96%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1263045-85-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >96% 5 In Stock Hong Kong Inquiry
5g >96% 3 In Stock Beijing Inquiry
10g >96% 3 In Stock Hong Kong Inquiry
0.25g >96% 2 In Stock Hong Kong Inquiry
25g >96% 1 In Stock Shanghai Inquiry

1263045-85-7 / (2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]butanoic acid

Standard CAS: 1263045-85-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1263045-85-7
Multi CAS
No
Molecular Formula
C29H32N2O6
Molecular Weight
504.600000
Exact Mass
504.226037
SMILES
CC(=N[C@@H](CCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O)C4=C(CC(CC4=O)(C)C)O
InChI
InChI=1S/C29H32N2O6/c1-17(26-24(32)14-29(2,3)15-25(26)33)31-23(27(34)35)12-13-30-28(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,30,36)(H,34,35)/t23-/m0/s1
InChIKey
BGQZWPYGWVUUEH-QHCPKHFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
3
Molar refractivity
139.9
TPSA
125.29

LogP / Solubility

WLOGP
5.03
MLOGP
4.46
XLogP3
4.1
Consensus LogP
4.53
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.08
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)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us