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CAS 1290040-14-0 (2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-oxoindolin-3-yl)propanoic acid molecular structure lightbox
CAS RN: 1290040-14-0

(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-oxoindolin-3-yl)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251220 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-036195
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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: 1g
  • 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 1290040-14-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1290040-14-0 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid

Standard CAS: 1290040-14-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1290040-14-0
Multi CAS
No
Molecular Formula
C26H22N2O5
Molecular Weight
442.500000
Exact Mass
442.152872
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C26H22N2O5/c29-24-20(19-11-5-6-12-22(19)27-24)13-23(25(30)31)28-26(32)33-14-21-17-9-3-1-7-15(17)16-8-2-4-10-18(16)21/h1-12,20-21,23H,13-14H2,(H,27,29)(H,28,32)(H,30,31)/t20?,23-/m0/s1
InChIKey
JLKDRJNEVVDHFA-AKRCKQFNSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
122.06
TPSA
104.73

LogP / Solubility

WLOGP
4.1
MLOGP
3.64
XLogP3
3.6
Consensus LogP
3.78
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.66
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)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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