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CAS 1260592-33-3 (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(pyridin-3-yl)butanoic acid molecular structure lightbox
CAS RN: 1260592-33-3

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(pyridin-3-yl)butanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260224 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-031659
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 1260592-33-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

1260592-33-3 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-3-ylbutanoic acid

Standard CAS: 1260592-33-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260592-33-3
Multi CAS
No
Molecular Formula
C24H22N2O4
Molecular Weight
402.400000
Exact Mass
402.157957
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCC4=CN=CC=C4)C(=O)O
InChI
InChI=1S/C24H22N2O4/c27-23(28)22(12-11-16-6-5-13-25-14-16)26-24(29)30-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-10,13-14,21-22H,11-12,15H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKey
QUWMTZAPSYLMSZ-QFIPXVFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
112.19
TPSA
88.52

LogP / Solubility

WLOGP
4.01
MLOGP
3.55
XLogP3
3.9
Consensus LogP
3.82
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.44
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)
-2.33

Drug-likeness / Medicinal Chemistry

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

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