CAS RN: 475205-49-3
A-317491 DISODIUM SALT
Product Availability
Choose a grade to view its available package options.
12 package records9 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250221 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250524 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260130 | 10mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20251020 | 1g | Out of stock | Inquiry | ||
| Batchno.20260504 | 1mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250213 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260625 | 50mg | In stock | Wuhan | Inquiry | |
| Batchno.20250202 | 5mg | In stock | Shanghai, Tianjin | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251228 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS475205-49-3
- Purity/Analytical Methods: >99.0%
475205-49-3 / 5-[(3-phenoxyphenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
Basic Information
CAS
475205-49-3
Multi CAS
No
Molecular Formula
C33H27NO8
Molecular Weight
565.600000
Exact Mass
565.173667
InChI
InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1
InChIKey
VQGBOYBIENNKMI-LJAQVGFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.15
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
152.27
TPSA
141.44
LogP / Solubility
WLOGP
6.29
MLOGP
5.58
XLogP3
5.3
Consensus LogP
5.72
Log S (ESOL)
-7.14
Class (ESOL)
Insoluble
Log S (Ali)
-8.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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