[email protected]
CAS 156605-94-6 1-Bromo-2-ethoxy-4-(trifluoromethyl)benzene molecular structure lightbox
CAS RN: 156605-94-6

1-Bromo-2-ethoxy-4-(trifluoromethyl)benzene

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260613 100g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250609 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250125 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260204 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS156605-94-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

156605-94-6 / 1-bromo-2-ethoxy-4-(trifluoromethyl)benzene

Standard CAS: 156605-94-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
156605-94-6
Multi CAS
No
Molecular Formula
C9H8BrF3O
Molecular Weight
269.060000
Exact Mass
267.971060
SMILES
CCOC1=C(C=CC(=C1)C(F)(F)F)Br
InChI
InChI=1S/C9H8BrF3O/c1-2-14-8-5-6(9(11,12)13)3-4-7(8)10/h3-5H,2H2,1H3
InChIKey
XIBAPZDKMPQBTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
50.31
TPSA
9.23

LogP / Solubility

WLOGP
3.87
MLOGP
3.41
XLogP3
3.8
Consensus LogP
3.69
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62

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