![CAS 1956435-84-9 (R)-4-benzyl-3-(2-(3′-(trifluoroMethyl)-[1,1′-biphenyl]-4-yl)acetyl)oxazolidin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92615474(1).gif)
CAS RN: 1956435-84-9
(R)-4-benzyl-3-(2-(3′-(trifluoroMethyl)-[1,1′-biphenyl]-4-yl)acetyl)oxazolidin-2-one
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260202 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1956435-84-9
- Purity/Analytical Methods: >99.0%
1956435-84-9 / (4R)-4-benzyl-3-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]acetyl]-1,3-oxazolidin-2-one
Basic Information
CAS
1956435-84-9
Multi CAS
No
Molecular Formula
C25H20F3NO3
Molecular Weight
439.400000
Exact Mass
439.139528
SMILES
C1[C@H](N(C(=O)O1)C(=O)CC2=CC=C(C=C2)C3=CC(=CC=C3)C(F)(F)F)CC4=CC=CC=C4
InChI
InChI=1S/C25H20F3NO3/c26-25(27,28)21-8-4-7-20(15-21)19-11-9-18(10-12-19)14-23(30)29-22(16-32-24(29)31)13-17-5-2-1-3-6-17/h1-12,15,22H,13-14,16H2/t22-/m1/s1
InChIKey
ORXWACPIIIJMPF-JOCHJYFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
112.71
TPSA
46.61
LogP / Solubility
WLOGP
5.51
MLOGP
4.87
XLogP3
5.8
Consensus LogP
5.39
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1956435-89-4 tert-butyl (R)-6-(trifluoromethyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl (R)-6-(trifluoromethyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
- CAS RN: 1956435-89-4
- Product Code: starshine_CAS1956435-89-4
- Purity/Analytical method: >99.0%
-
Boc-(S)-3-Amino-4-(2,4-difluorophenyl)-butyric acid
- CAS RN: 1956436-03-5
- Product Code: starshine_CAS1956436-03-5
- Purity/Analytical method: >99.0%
-
(R)-1-(3-fluoro-4-nitrophenyl)ethanol
- CAS RN: 1956436-11-5
- Product Code: starshine_CAS1956436-11-5
- Purity/Analytical method: >99.0%
-
(R)-tert-Butyl 2-amino-3-(3-bromophenyl)propanoate hydrochloride
- CAS RN: 1956436-14-8
- Product Code: SSC-092543
-
(3R)-3-Methyl-pyrrolidin-3-ol hydrochloride
- CAS RN: 1956436-45-5
- Product Code: SSC-092545
-
(S)-1-(5-Fluoropyridin-3-yl)ethanamine hydrochloride
- CAS RN: 1956436-47-7
- Product Code: starshine_CAS1956436-47-7
- Purity/Analytical method: >99.0%
![CAS 1956435-89-4 tert-butyl (R)-6-(trifluoromethyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1956435-89-4.gif)
