![CAS 1998513-62-4 4-Quinolinepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1998513-62-4.gif)
CAS RN: 1998513-62-4
4-Quinolinepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
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.20251208 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-094064
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: >97%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | -- | 1 In Stock | Beijing | Inquiry |
| 1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 5g | -- | 1 In Stock | Beijing | Inquiry |
| 5g | >97% | 1 In Stock | Shenzhen | Inquiry |
1998513-62-4 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-4-ylpropanoic acid
Basic Information
CAS
1998513-62-4
Multi CAS
No
Molecular Formula
C27H22N2O4
Molecular Weight
438.500000
Exact Mass
438.157957
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=NC5=CC=CC=C45)C(=O)O
InChI
InChI=1S/C27H22N2O4/c30-26(31)25(15-17-13-14-28-24-12-6-5-7-18(17)24)29-27(32)33-16-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-14,23,25H,15-16H2,(H,29,32)(H,30,31)/t25-/m0/s1
InChIKey
UILNMPKRVDFFIU-VWLOTQADSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
125.08
TPSA
88.52
LogP / Solubility
WLOGP
4.77
MLOGP
4.23
XLogP3
4.9
Consensus LogP
4.63
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.19
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)
-2.01
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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