Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo-
TL;DR: Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo- (CAS 25053-30-9) is a chemical compound with molecular formula C12H15BrCl2N2O and molecular weight 351.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(2-chloroethyl)aminomethyl]-4-bromobenzamide
Also Known As: Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo-, N-((Bis(2-chloroethyl)amino)methyl)-4-bromobenzamide, N-(Bis(2-chloraethyl)aminomethyl)-4-brombenzamid, N-(Bis(2-chloraethyl)aminomethyl)-4-brombenzamid [German], n-{[bis(2-chloroethyl)amino]methyl}-4-bromobenzamide
| Molecular Formula | C12H15BrCl2N2O |
|---|---|
| Molecular Weight | 351.97 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.9745 |
| Heavy Atoms | 18 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 25053-30-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCN(CCCl)CCCl)Br |
| InChIKey | BTKLHPDEWLYURB-UHFFFAOYSA-N |
Product Overview
Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo- (CAS 25053-30-9), with molecular formula C12H15BrCl2N2O and molecular weight 351.97 g/mol. IUPAC: N-[bis(2-chloroethyl)aminomethyl]-4-bromobenzamide.
Chemical Property Profile of Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo-
Property Insights of Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo-
The XLogP value of 3.2 indicates that Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo- 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 Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo-?
The CAS number of Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo- is 25053-30-9.
What is the molecular formula of Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo-?
The molecular formula of Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo- is C12H15BrCl2N2O.
What is the molecular weight of Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo-?
The molecular weight of Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo- is 351.97 g/mol.
Where can I buy Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo-?
You can request a quote for Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.