3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride
TL;DR: 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride (CAS 1052415-75-4) is a chemical compound with molecular formula C12H17BrClNO2 and molecular weight 321.01312 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dimethylamino)propyl 2-bromobenzoate;hydrochloride
Also Known As: 3-(dimethylamino)propyl 2-bromobenzoate hydrochloride, 3-dimethylaminopropyl 2-bromobenzoate Hydrochloride
Technical Specifications
| Molecular Formula | C12H17BrClNO2 |
| Molecular Weight | 321.01312 g/mol |
| XLogP | 2.9794 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.01312 Da |
| Heavy Atoms | 17 |
| Complexity | 221.0 |
| SMILES | CN(C)CCCOC(=O)C1=CC=CC=C1Br.Cl |
| InChIKey | OELGDLQZCLUEGL-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride
Property Insights of 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride
The XLogP value of 2.9794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride. With a topological polar surface area (TPSA) of 29.5 Ų, 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride?
The CAS number of 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride is 1052415-75-4.
What is the molecular formula of 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride?
The molecular formula of 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride is C12H17BrClNO2.
What is the molecular weight of 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride?
The molecular weight of 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride is 321.01312 g/mol.
Where can I buy 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride?
You can request a quote for 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride?
Yes, CoreyChem provides custom synthesis services for 3-(Dimethylamino)propyl 2-bromobenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.