N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine
TL;DR: N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine (CAS 87376-15-6) is a chemical compound with molecular formula C14H15BrN2O4S and molecular weight 385.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[(2-bromoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid
Also Known As: 1,5-Br-Aedans, N-bromoacetyl-N'- ethylenediamine, N-Bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine, 1-Naphthalenesulfonic acid, 5-((2-((bromoacetyl)amino)ethyl)amino)-, 5-[2-[(2-bromoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid
| Molecular Formula | C14H15BrN2O4S |
|---|---|
| Molecular Weight | 385.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.9936 |
| Heavy Atoms | 22 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 87376-15-6 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNC(=O)CBr |
| InChIKey | GKESTBFZKKBEGP-UHFFFAOYSA-N |
Product Overview
N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine (CAS 87376-15-6), with molecular formula C14H15BrN2O4S and molecular weight 385.99 g/mol. IUPAC: 5-[2-[(2-bromoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid.
Chemical Property Profile of N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine
Property Insights of N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine. Following Lipinski's Rule of Five, N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine has 3 hydrogen bond donor(s) and 5 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 N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine?
The CAS number of N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine is 87376-15-6.
What is the molecular formula of N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine?
The molecular formula of N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine is C14H15BrN2O4S.
What is the molecular weight of N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine?
The molecular weight of N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine is 385.99 g/mol.
Where can I buy N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine?
You can request a quote for N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine?
Yes, KEHONG BIO provides custom synthesis services for N-bromoacetyl-N'-(1-sulfo-5-naphthyl)ethylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.