CAS RN: 2255321-11-8
N-（(9H-fluoren-9-ylmethoxy)carbonyl）-O-(3-methylbutyl)-L-S
- Product code: SSC-110315
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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >95%
- 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 |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 1 In Stock | Beijing | Inquiry |
| 10g | >95% | 1 In Stock | Beijing | Inquiry |
| 25g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
2255321-11-8 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methylbutoxy)propanoic acid
Basic Information
CAS
2255321-11-8
Multi CAS
No
Molecular Formula
C23H27NO5
Molecular Weight
397.500000
Exact Mass
397.188923
SMILES
CC(C)CCOC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H27NO5/c1-15(2)11-12-28-14-21(22(25)26)24-23(27)29-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20-21H,11-14H2,1-2H3,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKey
DCNDWHLDBBHDRE-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
109.9
TPSA
84.86
LogP / Solubility
WLOGP
4.04
MLOGP
3.58
XLogP3
4.2
Consensus LogP
3.94
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.68
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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