CAS RN: 1185883-40-2
(S)-3-((2R,5S)-5-(4-fluorophenyl)-2-((S)-(4-fluorophenylaMino)(4-hydroxyphenyl)Methyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250809 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1185883-40-2
- Purity/Analytical Methods: >99.0%
1185883-40-2 / (4S)-3-[(2R,5S)-2-[(S)-(4-fluoroanilino)-(4-hydroxyphenyl)methyl]-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
(4S)-3-[(2R,5S)-5-(4-Fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino](4-hydroxyphenyl)methyl]-5-hydroxy-1-oxopentyl]-4-phenyl-2-oxazolidinone | HFJ9MN6DVB | (4S)-3-((2R,5S)-5-(4-Fluorophenyl)-2-((S)-((4-fluorophenyl)amino)(4-hydroxyphenyl)methyl)-5-hydroxy-1-oxopentyl)-4-phenyl-2-oxazolidinone
Basic Information
CAS
1185883-40-2
Multi CAS
Yes
Molecular Formula
C33H30F2N2O5
Molecular Weight
572.600000
Exact Mass
572.212278
SMILES
C1[C@@H](N(C(=O)O1)C(=O)[C@H](CC[C@@H](C2=CC=C(C=C2)F)O)[C@@H](C3=CC=C(C=C3)O)NC4=CC=C(C=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C33H30F2N2O5/c34-24-10-6-22(7-11-24)30(39)19-18-28(32(40)37-29(20-42-33(37)41)21-4-2-1-3-5-21)31(23-8-16-27(38)17-9-23)36-26-14-12-25(35)13-15-26/h1-17,28-31,36,38-39H,18-20H2/t28-,29-,30+,31-/m1/s1
InChIKey
WYMDQBFNYMAMNK-LTXXGDHTSA-N
Synonyms
(4S)-3-[(2R,5S)-5-(4-Fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino](4-hydroxyphenyl)methyl]-5-hydroxy-1-oxopentyl]-4-phenyl-2-oxazolidinone
HFJ9MN6DVB
(4S)-3-((2R,5S)-5-(4-Fluorophenyl)-2-((S)-((4-fluorophenyl)amino)(4-hydroxyphenyl)methyl)-5-hydroxy-1-oxopentyl)-4-phenyl-2-oxazolidinone
RefChem:1050511
(S)-3-((2R,5S)-5-(4-fluorophenyl)-2-((S)-((4-fluorophenyl)amino)(4-hydroxyphenyl)methyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.21
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
3
Molar refractivity
152.33
TPSA
99.1
LogP / Solubility
WLOGP
6.67
MLOGP
5.92
XLogP3
6.3
Consensus LogP
6.3
Log S (ESOL)
-7.36
Class (ESOL)
Insoluble
Log S (Ali)
-9.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.47
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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