![CAS 1228690-19-4 (R)-2-(4′-(4-(((1-(2-chlorophenyl)ethoxy)carbonyl)aMino)-3-Methylisoxazol-5-yl)-[1,1′-biphenyl]-4-yl)acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228690-19-4.gif)
CAS RN: 1228690-19-4
(R)-2-(4′-(4-(((1-(2-chlorophenyl)ethoxy)carbonyl)aMino)-3-Methylisoxazol-5-yl)-[1,1′-biphenyl]-4-yl)acetic acid
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260116 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250204 | 100mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250914 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20251215 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260504 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20260419 | 2mg | In stock | Shanghai | Inquiry | |
| Batchno.20250302 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250819 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-026512
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: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1228690-19-4 / 2-[4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
Basic Information
CAS
1228690-19-4
Multi CAS
No
Molecular Formula
C27H23ClN2O5
Molecular Weight
490.900000
Exact Mass
490.129550
SMILES
CC1=NOC(=C1NC(=O)O[C@H](C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)C4=CC=C(C=C4)CC(=O)O
InChI
InChI=1S/C27H23ClN2O5/c1-16-25(29-27(33)34-17(2)22-5-3-4-6-23(22)28)26(35-30-16)21-13-11-20(12-14-21)19-9-7-18(8-10-19)15-24(31)32/h3-14,17H,15H2,1-2H3,(H,29,33)(H,31,32)/t17-/m1/s1
InChIKey
WWQTWEWAPUCDDZ-QGZVFWFLSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
23
Fraction Csp3
0.15
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
133.42
TPSA
101.66
LogP / Solubility
WLOGP
6.91
MLOGP
6.11
XLogP3
5.6
Consensus LogP
6.21
Log S (ESOL)
-7.26
Class (ESOL)
Insoluble
Log S (Ali)
-8.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.42
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 1228690-37-6 [5-(4-BroMophenyl)-3-Methylisoxazol-4-yl]carbaMic acid(R)-1-phenylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228690-37-6.gif)
