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CAS 133464-45-6 OC(=O)[C@H](CCCC(=O)OCC=C)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2 molecular structure lightbox
CAS RN: 133464-45-6

OC(=O)[C@H](CCCC(=O)OCC=C)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260316 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-040247
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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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 133464-45-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Shenzhen Inquiry

133464-45-6 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxo-6-prop-2-enoxyhexanoic acid

Standard CAS: 133464-45-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133464-45-6
Multi CAS
No
Molecular Formula
C24H25NO6
Molecular Weight
423.500000
Exact Mass
423.168188
SMILES
C=CCOC(=O)CCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H25NO6/c1-2-14-30-22(26)13-7-12-21(23(27)28)25-24(29)31-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h2-6,8-11,20-21H,1,7,12-15H2,(H,25,29)(H,27,28)/t21-/m0/s1
InChIKey
XLZBRNYLRGKRKC-NRFANRHFSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
114.64
TPSA
101.93

LogP / Solubility

WLOGP
3.88
MLOGP
3.44
XLogP3
3.9
Consensus LogP
3.74
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.83
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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