[email protected]
CAS 746638-33-5 8-BROMO-6-FLUORO-3,4-DIHYDRO-2H-1-BENZOPYRAN molecular structure lightbox
CAS RN: 746638-33-5

8-BROMO-6-FLUORO-3,4-DIHYDRO-2H-1-BENZOPYRAN

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250331 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS746638-33-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

746638-33-5 / 8-bromo-6-fluoro-3,4-dihydro-2H-chromene

Standard CAS: 746638-33-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
746638-33-5
Multi CAS
No
Molecular Formula
BC9H8ORf
Molecular Weight
231.060000
Exact Mass
229.974260
InChI
InChI=1S/C9H8BrFO/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h4-5H,1-3H2
InChIKey
CWHBRNOMRBEAOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
Molar refractivity
47.92
TPSA
9.23

LogP / Solubility

WLOGP
2.91
MLOGP
2.57
XLogP3
3.1
Consensus LogP
2.86
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us