![CAS 71989-14-5 4-tert-Butyl N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-aspartate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3150-jpgcontextbwfzdgvyfhjvb3r8mzezndj8aw1hz2uvanblz3xooguvade3lzg5mjg5mtc3odi1ntgvqjmxntauanbnfgqzn2eyzjm1zmu3zmeyyjnjmzlizmflmdfjmzbknzdmymmznwvmztbkzdi4odzkngq1ywrmodhintvinjhkm2y.jpeg)
CAS RN: 71989-14-5
4-tert-Butyl N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-aspartate
- Product code: SSC-181497
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: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 5 In Stock | Shanghai | Inquiry |
| 100g | >98% | 5 In Stock | Shanghai | Inquiry |
| 500g | >98% | 5 In Stock | Beijing | Inquiry |
| 1000g | >98% | 5 In Stock | Shenzhen | Inquiry |
71989-14-5 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Basic Information
CAS
71989-14-5
Multi CAS
Yes
Molecular Formula
C23H25NO6
Molecular Weight
411.400000
Exact Mass
411.168188
InChI
InChI=1S/C23H25NO6/c1-23(2,3)30-20(25)12-19(21(26)27)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,26,27)/t19-/m0/s1
InChIKey
FODJWPHPWBKDON-IBGZPJMESA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
110.09
TPSA
101.93
LogP / Solubility
WLOGP
3.71
MLOGP
3.29
XLogP3
3.5
Consensus LogP
3.5
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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