![CAS 138775-22-1 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-isoleucine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f1129-jpgcontextbwfzdgvyfhjvb3r8mzu2otz8aw1hz2uvanblz3xom2qvadc4lzg5mza3mtk1njm4mdyvrjexmjkuanbnfdc1zgfmnwyxnwizzgjiode0zwu1ntk0owuxmwzlnjgyotlmowu5ztcwmjkxnjvkmgu0mwexmmm1owm4ntvkyzy.jpeg)
CAS RN: 138775-22-1
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-isoleucine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-048712
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: >95%
- 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 |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 5 In Stock | Shanghai | Inquiry |
| 10g | >95% | 5 In Stock | Beijing | Inquiry |
| 25g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >95% | 5 In Stock | Shanghai | Inquiry |
| 500g | >95% | 1 In Stock | Beijing | Inquiry |
| 1000g | >95% | 0 Out of Stock | Beijing | Inquiry |
138775-22-1 / (2S,3S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylpentanoic acid
Basic Information
CAS
138775-22-1
Multi CAS
No
Molecular Formula
C22H25NO4
Molecular Weight
367.400000
Exact Mass
367.178358
SMILES
CC[C@H](C)[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO4/c1-4-14(2)20(21(24)25)23(3)22(26)27-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,4,13H2,1-3H3,(H,24,25)/t14-,20-/m0/s1
InChIKey
IQIOLCJHRZWOLS-XOBRGWDASA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
103.71
TPSA
66.84
LogP / Solubility
WLOGP
4.37
MLOGP
3.86
XLogP3
4.6
Consensus LogP
4.28
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.39
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)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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