CAS RN: 1338934-20-5
MKC9989
Product Availability
Choose a grade to view its available package options.
6 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260523 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1338934-20-5
- Purity/Analytical Methods: >99.0%
1338934-20-5 / 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methyl-2-oxochromene-8-carbaldehyde
Basic Information
CAS
1338934-20-5
Multi CAS
No
Molecular Formula
C17H20O7
Molecular Weight
336.300000
Exact Mass
336.120903
SMILES
CC1=C(C(=O)OC2=C(C(=C(C=C12)OC)O)C=O)CCOCCOC
InChI
InChI=1S/C17H20O7/c1-10-11(4-5-23-7-6-21-2)17(20)24-16-12(10)8-14(22-3)15(19)13(16)9-18/h8-9,19H,4-7H2,1-3H3
InChIKey
QSVDQIXSUDHAOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.41
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
1
Molar refractivity
87.22
TPSA
95.2
LogP / Solubility
WLOGP
1.83
MLOGP
1.63
XLogP3
1.4
Consensus LogP
1.62
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1338937-12-4 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1338937-12-4.gif)
