![6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one structure](/static/products/126/1264045-29-5.png)
6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one
TL;DR: 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one (CAS 1264045-29-5) is a chemical compound with molecular formula C14H12BrNO and molecular weight 289.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzyliminomethyl)-4-bromophenol
Also Known As: 2-[(benzylimino)methyl]-4-bromophenol, TimTec1_002659, 2-[(E)-(benzylimino)methyl]-4-bromophenol, 2-(Benzylimino-methyl)-4-bromo-phenol, 4-Bromo-2-[(benzylimino)methyl]phenol
| Molecular Formula | C14H12BrNO |
|---|---|
| Molecular Weight | 289.01 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.01022 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 1264045-29-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN=CC2=C(C=CC(=C2)Br)O |
| InChIKey | SJEGBGIPJQOGGF-UHFFFAOYSA-N |
Product Overview
6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one (CAS 1264045-29-5), with molecular formula C14H12BrNO and molecular weight 289.01 g/mol. IUPAC: 2-(benzyliminomethyl)-4-bromophenol.
Chemical Property Profile of 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one
Property Insights of 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one
The XLogP value of 3.5 indicates that 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.6 Ų, 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one?
The CAS number of 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one is 1264045-29-5.
What is the molecular formula of 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one?
The molecular formula of 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one is C14H12BrNO.
What is the molecular weight of 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one?
The molecular weight of 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one is 289.01 g/mol.
Where can I buy 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one?
You can request a quote for 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.