![CAS 2382243-79-8 L-Serine, O-cyclopentyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2382243-79-8.gif)
CAS RN: 2382243-79-8
L-Serine, O-cyclopentyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
- Product code: SSC-116087
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
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
2382243-79-8 / (2S)-3-cyclopentyloxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
2382243-79-8
Multi CAS
No
Molecular Formula
C23H25NO5
Molecular Weight
395.400000
Exact Mass
395.173273
SMILES
C1CCC(C1)OC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO5/c25-22(26)21(14-28-15-7-1-2-8-15)24-23(27)29-13-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,15,20-21H,1-2,7-8,13-14H2,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKey
UOSAUEDYHGXERN-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
107.84
TPSA
84.86
LogP / Solubility
WLOGP
3.94
MLOGP
3.49
XLogP3
3.8
Consensus LogP
3.74
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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