![CAS 460751-68-2 (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(5-methyl-1H-indol-3-yl)propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/460751-68-2.gif)
CAS RN: 460751-68-2
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(5-methyl-1H-indol-3-yl)propanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251108 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-153637
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: 5g, 10g, 0.25g, 1g, 25g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 25g | >97% | 0 Out of Stock | Shanghai | Inquiry |
460751-68-2 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-1H-indol-3-yl)propanoic acid
Basic Information
CAS
460751-68-2
Multi CAS
No
Molecular Formula
C27H24N2O4
Molecular Weight
440.500000
Exact Mass
440.173607
InChI
InChI=1S/C27H24N2O4/c1-16-10-11-24-22(12-16)17(14-28-24)13-25(26(30)31)29-27(32)33-15-23-20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-12,14,23,25,28H,13,15H2,1H3,(H,29,32)(H,30,31)/t25-/m0/s1
InChIKey
XLKFSFRZGVTQNQ-VWLOTQADSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
126.37
TPSA
91.42
LogP / Solubility
WLOGP
5.01
MLOGP
4.44
XLogP3
5.1
Consensus LogP
4.85
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
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)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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