CAS RN: 1268244-85-4
PX20606 trans-isomer
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250601 | 1mg / 2mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1268244-85-4
- Purity/Analytical Methods: >99.0%
1268244-85-4 / 4-[(1R,2R)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid
Basic Information
CAS
1268244-85-4
Multi CAS
No
Molecular Formula
C29H22Cl3NO4
Molecular Weight
554.800000
Exact Mass
553.061441
SMILES
C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC(=C(C=C4)[C@@H]5C[C@H]5C6=CC=C(C=C6)C(=O)O)Cl
InChI
InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)
InChIKey
XBUXXJUEBFDQHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
23
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
143.22
TPSA
72.56
LogP / Solubility
WLOGP
8.73
MLOGP
7.72
XLogP3
7.6
Consensus LogP
8.02
Log S (ESOL)
-8.71
Class (ESOL)
Insoluble
Log S (Ali)
-10.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.47
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.09
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
Customers Also Viewed
-
4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole
- CAS RN: 1268245-50-6
- Product Code: SSC-034044
-
methyl 4-(2-chloro-4-hydroxystyryl)benzoate
- CAS RN: 1268246-12-3
- Product Code: SSC-034046
-
4-((4-Chlorobenzylidene)amino)benzenesulfonamide
- CAS RN: 1268249-72-4
- Product Code: SSC-034049
-
Acetamide, 2-(1,1-dimethylethoxy)-N-methoxy-N-methyl-
- CAS RN: 1268252-59-0
- Product Code: starshine_CAS1268252-59-0
- Purity/Analytical method: >99.0%
-
2-methyl-2-(trifluoromethylsulfonamido)propyl methacrylate
- CAS RN: 1268257-44-8
- Product Code: SSC-034051
-
2-amino-N-[3-[[2-(4-methyl-1-piperazinyl)-4-(phenylmethoxy)-5-pyrimidinyl]thio]phenyl]
- CAS RN: 1268273-90-0
- Product Code: starshine_CAS1268273-90-0
- Purity/Analytical method: >99.0%
![CAS 1268273-90-0 2-amino-N-[3-[[2-(4-methyl-1-piperazinyl)-4-(phenylmethoxy)-5-pyrimidinyl]thio]phenyl] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1268273-90-0.gif)