CAS RN: 1344894-65-0
5-BROMO-7-METHOXY-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-ONE
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.20251019 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1344894-65-0
- Purity/Analytical Methods: >99.0%
1344894-65-0 / 5-bromo-7-methoxy-2,3-dihydrochromen-4-one
Basic Information
CAS
1344894-65-0
Multi CAS
No
Molecular Formula
C10H9BrO3
Molecular Weight
257.080000
Exact Mass
255.973510
SMILES
COC1=CC2=C(C(=O)CCO2)C(=C1)Br
InChI
InChI=1S/C10H9BrO3/c1-13-6-4-7(11)10-8(12)2-3-14-9(10)5-6/h4-5H,2-3H2,1H3
InChIKey
MITRTABSJHTAKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
55.14
TPSA
35.53
LogP / Solubility
WLOGP
2.42
MLOGP
2.14
XLogP3
2
Consensus LogP
2.19
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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