2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine
TL;DR: 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine (CAS 55414-57-8) is a chemical compound with molecular formula C14H21BrN2O2 and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate
Also Known As: Ethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate, 2-Amino-3-bromo-5-carbethoxy-N,N-diethyl-benzylamine, 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine, 4-amino-3-bromo-5-[(diethylamino)methyl]benzoic acid ethyl ester, ethyl 4-amino-3-bromo-5-[(diethylamino)methyl]benzoate
| Molecular Formula | C14H21BrN2O2 |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.07864 |
| Heavy Atoms | 19 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 55414-57-8 |
|---|---|
| SMILES | CCN(CC)CC1=C(C(=CC(=C1)C(=O)OCC)Br)N |
| InChIKey | NSPDFNKTKFZSHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine (CAS 55414-57-8), with molecular formula C14H21BrN2O2 and molecular weight 328.08 g/mol. IUPAC: ethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate.
Chemical Property Profile of 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine
Property Insights of 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine. With a topological polar surface area (TPSA) of 55.6 Ų, 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine has 1 hydrogen bond donor(s) and 4 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 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine?
The CAS number of 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine is 55414-57-8.
What is the molecular formula of 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine?
The molecular formula of 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine is C14H21BrN2O2.
What is the molecular weight of 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine?
The molecular weight of 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine is 328.08 g/mol.
Where can I buy 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine?
You can request a quote for 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-bromo-5-carbethoxy-N,N-diethylbenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.