![CAS 67436-13-9 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(tert-butyl)-L-cysteine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0972-jpgcontextbwfzdgvyfhjvb3r8mzm1mzn8aw1hz2uvanblz3xonjmvagqylzg5mza3mte2otk0odyvrja5nziuanbnfdqymtgxzmniyzexm2izoti3mjrjnme3yzblnmi0zgfhmjvmnjk1zddjztrmytc5mdk2nzrindlhyzc5ywe3zmq.jpeg)
CAS RN: 67436-13-9
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(tert-butyl)-L-cysteine
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-177124
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, 25g, 10g, 100g
- 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.
67436-13-9 / 3-tert-butylsulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
67436-13-9
Multi CAS
Yes
Molecular Formula
C22H25NO4S
Molecular Weight
399.500000
Exact Mass
399.150429
InChI
InChI=1S/C22H25NO4S/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)
InChIKey
IXAYZHCPEYTWHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
111.84
TPSA
75.63
LogP / Solubility
WLOGP
4.51
MLOGP
3.99
XLogP3
4.3
Consensus LogP
4.27
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.72
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)
-1.95
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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