Metamelfalan, (A+-)-
TL;DR: Metamelfalan, (A+-)- (CAS 1088-79-5) is a chemical compound with molecular formula C13H18Cl2N2O2 and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Also Known As: Metamelfalan, m-DL-Sarcolysin, m-DL-Sarcolysine, Metamelfalanum, m-L-Sarcolysin
| Molecular Formula | C13H18Cl2N2O2 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 304.07452 |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 1088-79-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N(CCCl)CCCl)CC(C(=O)O)N |
| InChIKey | QDGAVODICPCDMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metamelfalan, (A+-)- (CAS 1088-79-5), with molecular formula C13H18Cl2N2O2 and molecular weight 304.07 g/mol. IUPAC: 2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid.
Chemical Property Profile of Metamelfalan, (A+-)-
Property Insights of Metamelfalan, (A+-)-
The XLogP value of -0.5 indicates that Metamelfalan, (A+-)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Metamelfalan, (A+-)-. Following Lipinski's Rule of Five, Metamelfalan, (A+-)- has 2 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 Metamelfalan, (A+-)-?
The CAS number of Metamelfalan, (A+-)- is 1088-79-5.
What is the molecular formula of Metamelfalan, (A+-)-?
The molecular formula of Metamelfalan, (A+-)- is C13H18Cl2N2O2.
What is the molecular weight of Metamelfalan, (A+-)-?
The molecular weight of Metamelfalan, (A+-)- is 304.07 g/mol.
Where can I buy Metamelfalan, (A+-)-?
You can request a quote for Metamelfalan, (A+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metamelfalan, (A+-)-?
Yes, KEHONG BIO provides custom synthesis services for Metamelfalan, (A+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.