![CAS 71989-28-1 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0296-jpgcontextbwfzdgvyfhjvb3r8mza3odn8aw1hz2uvanblz3xomzcvady5lzg5mza2ndezmtm4mjivrjayotyuanbnfdjknwrizjcxmtm3zgq4ytnhmmi4mjljytvmzjvhnzdln2uzowm2mti4zdkzyzrlm2mxmmflmjmynjfiywy4mmm.jpeg)
CAS RN: 71989-28-1
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine
- Product code: SSC-181503
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, 25g, 100g, 1000g, 500g
- Available purity: >98%
- Inventory rows with stock: 5
- 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 | Hong Kong | Inquiry |
| 25g | >98% | 5 In Stock | Shanghai | Inquiry |
| 100g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 1000g | >98% | 3 In Stock | Hong Kong | Inquiry |
| 500g | >98% | 2 In Stock | Shenzhen | Inquiry |
71989-28-1 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoic acid
Basic Information
CAS
71989-28-1
Multi CAS
Yes
Molecular Formula
C20H21NO4S
Molecular Weight
371.500000
Exact Mass
371.119129
InChI
InChI=1S/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)
InChIKey
BUBGAUHBELNDEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
102.63
TPSA
75.63
LogP / Solubility
WLOGP
3.73
MLOGP
3.3
XLogP3
3.7
Consensus LogP
3.58
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34
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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