![CAS 38399-65-4 2′-(Bromomethyl)-[1,1′-biphenyl]-2-carboxylic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/38399-65-4.gif)
CAS RN: 38399-65-4
2′-(Bromomethyl)-[1,1′-biphenyl]-2-carboxylic acid methyl ester
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.20250112 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS38399-65-4
- Purity/Analytical Methods: >99.0%
38399-65-4 / methyl 2-[2-(bromomethyl)phenyl]benzoate
Basic Information
CAS
38399-65-4
Multi CAS
No
Molecular Formula
C15H13BRO2
Molecular Weight
305.170000
Exact Mass
304.009890
InChI
InChI=1S/C15H13BrO2/c1-18-15(17)14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-16/h2-9H,10H2,1H3
InChIKey
WPLRHUGEKOPRMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
75.85
TPSA
26.3
LogP / Solubility
WLOGP
4.04
MLOGP
3.56
XLogP3
4
Consensus LogP
3.87
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
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)
-1.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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