![3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide structure](/static/products/131/1314397-98-2.png)
3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide
TL;DR: 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide (CAS 1314397-98-2) is a chemical compound with molecular formula C10H11BrN2O and molecular weight 254.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(dimethylaminomethylidene)benzamide
Also Known As: [N(E)]-3-Bromo-N-[(dimethylamino)methylene]benzamide|3-bromo-N-(dimethylaminomethylidene)benzamide|3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide|ITPORUNGGXUNSC-KPKJPENVSA-N
| Molecular Formula | C10H11BrN2O |
|---|---|
| Molecular Weight | 254.01 g/mol |
| LogP | 2.1792 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.00548 |
| Heavy Atoms | 14 |
| Complexity | 360.89456 |
Chemical Identifiers
| CAS Number | 1314397-98-2 |
|---|---|
| SMILES | CN(C)C=NC(=O)C1=CC(=CC=C1)Br |
Product Overview
3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide (CAS 1314397-98-2), with molecular formula C10H11BrN2O and molecular weight 254.01 g/mol. IUPAC: 3-bromo-N-(dimethylaminomethylidene)benzamide.
Chemical Property Profile of 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide
Property Insights of 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide
The XLogP value of 2.1792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide. With a topological polar surface area (TPSA) of 32.67 Ų, 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide has 0 hydrogen bond donor(s) and 1 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 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide?
The CAS number of 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide is 1314397-98-2.
What is the molecular formula of 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide?
The molecular formula of 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide is C10H11BrN2O.
What is the molecular weight of 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide?
The molecular weight of 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide is 254.01 g/mol.
Where can I buy 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide?
You can request a quote for 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[(1E)-(dimethylamino)methylene]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.