![CAS 71989-18-9 5-tert-Butyl N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-glutamate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3167-jpgcontextbwfzdgvyfhjvb3r8mtyxmzr8aw1hz2uvanblz3xoodmvadk0lzkwody4nza5ndu4mjivqjmxnjcuanbnfdyxowm3mtu1ndbkmzvkn2m0ztg3zwvizgninzfiyjezyzi2mzzmogfmytcwmtu4m2rjmdvmnwrmmjzlzmrmmmq.jpeg)
CAS RN: 71989-18-9
5-tert-Butyl N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-glutamate
- Product code: SSC-181499
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: 10g, 500g, 25g, 100g, 1000g
- Available purity: >98%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 10g | >98% | 5 In Stock | Beijing | Inquiry |
| 500g | >98% | 1 In Stock | Shanghai | Inquiry |
| 25g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | >98% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
71989-18-9 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
Basic Information
CAS
71989-18-9
Multi CAS
Yes
Molecular Formula
C24H27NO6
Molecular Weight
425.500000
Exact Mass
425.183838
InChI
InChI=1S/C24H27NO6/c1-24(2,3)31-21(26)13-12-20(22(27)28)25-23(29)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,27,28)/t20-/m0/s1
InChIKey
OTKXCALUHMPIGM-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
114.71
TPSA
101.93
LogP / Solubility
WLOGP
4.1
MLOGP
3.64
XLogP3
3.9
Consensus LogP
3.88
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.67
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)
-2.4
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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