![CAS 150629-67-7 Nα-[(9H-Fluoren-9-ylmethyloxy)carbonyl]-Nε-1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-L-lysine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f1270-jpgcontextbwfzdgvyfhjvb3r8mzq5njf8aw1hz2uvanblz3xomgyvadu1lzg5mza3mju4ntuynjivrjeynzauanbnfgjjmwzlogrknji2zwuxnzqxmwewyjninjkzyji5njlhodezmjuwyjaxy2qxm2q0mtdlnte1ntkwnjkyogm4ndq.jpeg)
CAS RN: 150629-67-7
Nα-[(9H-Fluoren-9-ylmethyloxy)carbonyl]-Nε-1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-L-lysine
- Product code: SSC-060564
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, 0.25g, 25g, 100g, 500g
- Available purity: >97%
- 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 | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 3 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 3 In Stock | Shanghai | Inquiry |
| 100g | >97% | 2 In Stock | Shanghai | Inquiry |
| 500g | >97% | 2 In Stock | Beijing | Inquiry |
150629-67-7 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]hexanoic acid
Basic Information
CAS
150629-67-7
Multi CAS
No
Molecular Formula
C31H36N2O6
Molecular Weight
532.600000
Exact Mass
532.257337
SMILES
CC(=NCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4=C(CC(CC4=O)(C)C)O
InChI
InChI=1S/C31H36N2O6/c1-19(28-26(34)16-31(2,3)17-27(28)35)32-15-9-8-14-25(29(36)37)33-30(38)39-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h4-7,10-13,24-25,34H,8-9,14-18H2,1-3H3,(H,33,38)(H,36,37)/t25-/m0/s1
InChIKey
AOHSSQNORWQENF-VWLOTQADSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
3
Molar refractivity
149.13
TPSA
125.29
LogP / Solubility
WLOGP
5.81
MLOGP
5.15
XLogP3
4.6
Consensus LogP
5.19
Log S (ESOL)
-6.37
Class (ESOL)
Insoluble
Log S (Ali)
-8.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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