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CAS 2255322-36-0 N-（(9H-fluoren-9-ylmethoxy)carbonyl）-O-(2-hydroxy-2-methyl molecular structure lightbox
CAS RN: 2255322-36-0

N-（(9H-fluoren-9-ylmethoxy)carbonyl）-O-(2-hydroxy-2-methyl

  • Product code: SSC-110321
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2255322-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry

2255322-36-0 / (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(2-hydroxy-2-methylpropoxy)propanoic acid

Standard CAS: 2255322-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2255322-36-0
Multi CAS
No
Molecular Formula
C23H27NO6
Molecular Weight
413.500000
Exact Mass
413.183838
SMILES
CC(C)(COC[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
InChI
InChI=1S/C23H27NO6/c1-23(2,28)14-29-13-20(21(25)26)24(3)22(27)30-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20,28H,12-14H2,1-3H3,(H,25,26)/t20-/m0/s1
InChIKey
UEKZNPTTWZNCFV-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
111.37
TPSA
96.3

LogP / Solubility

WLOGP
3.11
MLOGP
2.76
XLogP3
2.7
Consensus LogP
2.86
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble

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)
-3.04

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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