Melphalan methyl ester
TL;DR: Melphalan methyl ester (CAS 88457-23-2) is a chemical compound with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
Also Known As: Melphalan methyl ester, Melphalan EP Impurity H, Melphalan EP lmpurity H, MELPHALAN IMPURITY H [EP IMPURITY], J1.103.749F
| Molecular Formula | C14H20Cl2N2O2 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.09018 |
| Heavy Atoms | 20 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 88457-23-2 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)N |
| InChIKey | YHYUQHQOUXSXQE-ZDUSSCGKSA-N |
Product Overview
Melphalan methyl ester (CAS 88457-23-2), with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol. IUPAC: methyl (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate.
Chemical Property Profile of Melphalan methyl ester
Property Insights of Melphalan methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Melphalan methyl ester. With a topological polar surface area (TPSA) of 55.6 Ų, Melphalan methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Melphalan methyl ester has 1 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 Melphalan methyl ester?
The CAS number of Melphalan methyl ester is 88457-23-2.
What is the molecular formula of Melphalan methyl ester?
The molecular formula of Melphalan methyl ester is C14H20Cl2N2O2.
What is the molecular weight of Melphalan methyl ester?
The molecular weight of Melphalan methyl ester is 318.09 g/mol.
Where can I buy Melphalan methyl ester?
You can request a quote for Melphalan methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Melphalan methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Melphalan methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.