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CAS 270063-49-5 (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(2,4-dichlorophenyl)butanoic acid molecular structure lightbox
CAS RN: 270063-49-5

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(2,4-dichlorophenyl)butanoic acid

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250821 100mg / 250mg / 1g Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 100mg In stock Inquiry
Batchno.20260204 1g In stock Inquiry
Batchno.20250115 250mg In stock Inquiry
  • Product code: SSC-125558
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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: 0.25g
  • 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 270063-49-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

270063-49-5 / (3S)-4-(2,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

Standard CAS: 270063-49-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
270063-49-5
Multi CAS
No
Molecular Formula
C25H21Cl2NO4
Molecular Weight
470.300000
Exact Mass
469.084764
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=C(C=C(C=C4)Cl)Cl)CC(=O)O
InChI
InChI=1S/C25H21Cl2NO4/c26-16-10-9-15(23(27)12-16)11-17(13-24(29)30)28-25(31)32-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,12,17,22H,11,13-14H2,(H,28,31)(H,29,30)/t17-/m0/s1
InChIKey
UAGBOWBNDBDJMF-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
124.41
TPSA
75.63

LogP / Solubility

WLOGP
5.92
MLOGP
5.24
XLogP3
5.8
Consensus LogP
5.65
Log S (ESOL)
-6.44
Class (ESOL)
Insoluble
Log S (Ali)
-7.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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