![CAS 94744-50-0 2-[(9H-Fluoren-9-ylmethoxy)carbonylamino]isobutyric Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0888-jpgcontextbwfzdgvyfhjvb3r8mzmwmtj8aw1hz2uvanblz3xonmmvagnhlzg5mza3mdcyndmwmzgvrja4odguanbnfgnmnde4mza0yza4mtdjnmq0ogqzoweyzmzizgy3ntu1mzjinta3mzk4mzqzmzc2mjyxnzi2mzqynmqxyzc2mwy.jpeg)
CAS RN: 94744-50-0
2-[(9H-Fluoren-9-ylmethoxy)carbonylamino]isobutyric Acid
- Product code: SSC-209923
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, 25g, 100g, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 6
- 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 | >98% | 5 In Stock | Shanghai | Inquiry |
| 10g | >98% | 5 In Stock | Beijing | Inquiry |
| 25g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 5 In Stock | Shanghai | Inquiry |
| 500g | >98% | 2 In Stock | Beijing | Inquiry |
| 1000g | >98% | 2 In Stock | Beijing | Inquiry |
94744-50-0 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
Basic Information
CAS
94744-50-0
Multi CAS
Yes
Molecular Formula
C19H19NO4
Molecular Weight
325.400000
Exact Mass
325.131408
InChI
InChI=1S/C19H19NO4/c1-19(2,17(21)22)20-18(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKey
HOZZVEPRYYCBTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
89.92
TPSA
75.63
LogP / Solubility
WLOGP
3.39
MLOGP
3
XLogP3
3.2
Consensus LogP
3.2
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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