[email protected]
CAS 2255321-44-7 (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-hydroxy-2-methylpropoxy)propanoic acid molecular structure lightbox
CAS RN: 2255321-44-7

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-hydroxy-2-methylpropoxy)propanoic acid

  • Product code: SSC-110318
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2255321-44-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shanghai Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

2255321-44-7 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-hydroxy-2-methylpropoxy)propanoic acid

Standard CAS: 2255321-44-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2255321-44-7
Multi CAS
No
Molecular Formula
C22H25NO6
Molecular Weight
399.400000
Exact Mass
399.168188
SMILES
CC(C)(COC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
InChI
InChI=1S/C22H25NO6/c1-22(2,27)13-28-12-19(20(24)25)23-21(26)29-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19,27H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKey
QUGOTVRURAQLII-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
106.75
TPSA
105.09

LogP / Solubility

WLOGP
2.77
MLOGP
2.46
XLogP3
2.5
Consensus LogP
2.58
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
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)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us