![CAS 743453-43-2 Benzoic acid, 2-[(3-bromophenyl)methoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/743453-43-2.gif)
CAS RN: 743453-43-2
Benzoic acid, 2-[(3-bromophenyl)methoxy]-
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.20250505 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS743453-43-2
- Purity/Analytical Methods: >99.0%
743453-43-2 / 2-[(3-bromophenyl)methoxy]benzoic acid
Basic Information
CAS
743453-43-2
Multi CAS
No
Molecular Formula
C14H11BRO3
Molecular Weight
307.140000
Exact Mass
305.989160
InChI
InChI=1S/C14H11BrO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey
XXEHDADBNHDAIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.88
TPSA
46.53
LogP / Solubility
WLOGP
3.73
MLOGP
3.29
XLogP3
3.6
Consensus LogP
3.54
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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