![CAS 1267539-46-7 5-[(7-Hydroxy-2-oxo-2H-chromene-3-carbonyl)-amino]-pentanoic acid(WX610211) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1267539-46-7.gif)
CAS RN: 1267539-46-7
5-[(7-Hydroxy-2-oxo-2H-chromene-3-carbonyl)-amino]-pentanoic acid(WX610211)
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.20250929 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1267539-46-7
- Purity/Analytical Methods: >99.0%
1267539-46-7 / 5-[(7-hydroxy-2-oxochromene-3-carbonyl)amino]pentanoic acid
Basic Information
CAS
1267539-46-7
Multi CAS
No
Molecular Formula
C15H15NO6
Molecular Weight
305.280000
Exact Mass
305.089937
SMILES
C1=CC2=C(C=C1O)OC(=O)C(=C2)C(=O)NCCCCC(=O)O
InChI
InChI=1S/C15H15NO6/c17-10-5-4-9-7-11(15(21)22-12(9)8-10)14(20)16-6-2-1-3-13(18)19/h4-5,7-8,17H,1-3,6H2,(H,16,20)(H,18,19)
InChIKey
AYARTTAYIXFPSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
77.97
TPSA
116.84
LogP / Solubility
WLOGP
1.48
MLOGP
1.32
XLogP3
1.8
Consensus LogP
1.53
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53
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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