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CAS 138775-54-9 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(5-methoxy-1H-indol-3-yl)propanoic acid molecular structure lightbox
CAS RN: 138775-54-9

2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(5-methoxy-1H-indol-3-yl)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-048714
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 138775-54-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

138775-54-9 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoic acid

Standard CAS: 138775-54-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138775-54-9
Multi CAS
No
Molecular Formula
C27H24N2O5
Molecular Weight
456.500000
Exact Mass
456.168522
SMILES
COC1=CC2=C(C=C1)NC=C2CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H24N2O5/c1-33-17-10-11-24-22(13-17)16(14-28-24)12-25(26(30)31)29-27(32)34-15-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-11,13-14,23,25,28H,12,15H2,1H3,(H,29,32)(H,30,31)
InChIKey
LOSXXKTXEHICBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
128.18
TPSA
100.65

LogP / Solubility

WLOGP
4.71
MLOGP
4.18
XLogP3
4.7
Consensus LogP
4.53
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
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)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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