CAS RN: 1472624-85-3
7ACC-2
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260124 | 10mg | Out of stock | Inquiry | |
| Batchno.20250703 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260222 | 25mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250716 | 2mg | Out of stock | Inquiry | |
| Batchno.20250314 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260330 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS1472624-85-3
- Purity/Analytical Methods: >99.0%
1472624-85-3 / 7-[benzyl(methyl)amino]-2-oxochromene-3-carboxylic acid
Basic Information
CAS
1472624-85-3
Multi CAS
No
Molecular Formula
C18H15NO4
Molecular Weight
309.300000
Exact Mass
309.100108
SMILES
CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)O
InChI
InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)
InChIKey
XTKDQPFUOFAMRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.99
TPSA
70.75
LogP / Solubility
WLOGP
3.13
MLOGP
2.77
XLogP3
3.8
Consensus LogP
3.23
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 1472729-25-1 2-Chloro-4-dibenzofuran-4-yl-6-phenyl-[1,3,5]triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1472729-25-1.gif)
