![CAS 497863-61-3 N-[(3-Bromophenyl)methylene]-2,2-dimethoxyethanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/497863-61-3.gif)
CAS RN: 497863-61-3
N-[(3-Bromophenyl)methylene]-2,2-dimethoxyethanamine
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.20250524 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS497863-61-3
- Purity/Analytical Methods: >99.0%
497863-61-3 / 1-(3-bromophenyl)-N-(2,2-dimethoxyethyl)methanimine
Basic Information
CAS
497863-61-3
Multi CAS
No
Molecular Formula
BC11H14O2Rn
Molecular Weight
272.140000
Exact Mass
271.020790
InChI
InChI=1S/C11H14BrNO2/c1-14-11(15-2)8-13-7-9-4-3-5-10(12)6-9/h3-7,11H,8H2,1-2H3
InChIKey
YSHLGZYOYSZWIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
64.41
TPSA
30.82
LogP / Solubility
WLOGP
2.49
MLOGP
2.2
XLogP3
2.1
Consensus LogP
2.26
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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