chlorambucil N-oxide
TL;DR: chlorambucil N-oxide (CAS 33845-63-5) is a chemical compound with molecular formula C14H19Cl2NO3 and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-carboxypropyl)-N,N-bis(2-chloroethyl)benzeneamine oxide
Also Known As: Chlorambucil N-oxide, ChlorambucilN-oxide, 4-(3-carboxypropyl)-N,N-bis(2-chloroethyl)benzeneamine Oxide, Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenyl)- N-oxide, N,N-Bis(2-chloroethyl)-4-(3-carboxypropyl)benzenamine oxide
| Molecular Formula | C14H19Cl2NO3 |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 319.0742 |
| Heavy Atoms | 20 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 33845-63-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCC(=O)O)[N+](CCCl)(CCCl)[O-] |
| InChIKey | KXMJTDMWYPDAPL-UHFFFAOYSA-N |
Product Overview
chlorambucil N-oxide (CAS 33845-63-5), with molecular formula C14H19Cl2NO3 and molecular weight 319.07 g/mol. IUPAC: 4-(3-carboxypropyl)-N,N-bis(2-chloroethyl)benzeneamine oxide.
Chemical Property Profile of chlorambucil N-oxide
Property Insights of chlorambucil N-oxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for chlorambucil N-oxide. With a topological polar surface area (TPSA) of 55.4 Ų, chlorambucil N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, chlorambucil N-oxide 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
Frequently Asked Questions
What is the CAS number of chlorambucil N-oxide?
The CAS number of chlorambucil N-oxide is 33845-63-5.
What is the molecular formula of chlorambucil N-oxide?
The molecular formula of chlorambucil N-oxide is C14H19Cl2NO3.
What is the molecular weight of chlorambucil N-oxide?
The molecular weight of chlorambucil N-oxide is 319.07 g/mol.
Where can I buy chlorambucil N-oxide?
You can request a quote for chlorambucil N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for chlorambucil N-oxide?
Yes, KEHONG BIO provides custom synthesis services for chlorambucil N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.