Chlorambucil half mustard
TL;DR: Chlorambucil half mustard (CAS 116505-53-4) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2-chloroethylamino)phenyl]butanoic acid
Also Known As: Chlorambucil half mustard, Chlorambucil half-mustard, Monochloroethyl chlorambucil, Chlorambucil EP Impurity B, Chlorambucil Impurity B
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 116505-53-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCC(=O)O)NCCCl |
| InChIKey | JKJKVYIHGWHFSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorambucil half mustard (CAS 116505-53-4), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: 4-[4-(2-chloroethylamino)phenyl]butanoic acid.
Chemical Property Profile of Chlorambucil half mustard
Property Insights of Chlorambucil half mustard
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorambucil half mustard. With a topological polar surface area (TPSA) of 49.3 Ų, Chlorambucil half mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorambucil half mustard has 2 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 half mustard?
The CAS number of Chlorambucil half mustard is 116505-53-4.
What is the molecular formula of Chlorambucil half mustard?
The molecular formula of Chlorambucil half mustard is C12H16ClNO2.
What is the molecular weight of Chlorambucil half mustard?
The molecular weight of Chlorambucil half mustard is 241.09 g/mol.
Where can I buy Chlorambucil half mustard?
You can request a quote for Chlorambucil half mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorambucil half mustard?
Yes, KEHONG BIO provides custom synthesis services for Chlorambucil half mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.