Melphalan ethyl ester hydrochloride
TL;DR: Melphalan ethyl ester hydrochloride (CAS 63868-91-7) is a chemical compound with molecular formula C15H23Cl3N2O2 and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate;hydrochloride
Also Known As: Melphalan ethyl ester HCl, Melphalan ethyl ester hydrochloride, 4-(Bis(2-chloroethyl)amino)-L-phenylalanine ethyl ester hydrochloride, L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-, ethyl ester, hydrochloride, ethyl 4-[bis(2-chloroethyl)amino]-l-phenylalaninate hydrochloride(1:1)
| Molecular Formula | C15H23Cl3N2O2 |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 2.83 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 368.08252 |
| Heavy Atoms | 22 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 63868-91-7 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)N.Cl |
| InChIKey | AKDSHMBQGUDSBE-UQKRIMTDSA-N |
Product Overview
Melphalan ethyl ester hydrochloride (CAS 63868-91-7), with molecular formula C15H23Cl3N2O2 and molecular weight 368.08 g/mol. IUPAC: ethyl (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate;hydrochloride.
Chemical Property Profile of Melphalan ethyl ester hydrochloride
Property Insights of Melphalan ethyl ester hydrochloride
The XLogP value of 2.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Melphalan ethyl ester hydrochloride. With a topological polar surface area (TPSA) of 55.6 Ų, Melphalan ethyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Melphalan ethyl ester hydrochloride 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 Melphalan ethyl ester hydrochloride?
The CAS number of Melphalan ethyl ester hydrochloride is 63868-91-7.
What is the molecular formula of Melphalan ethyl ester hydrochloride?
The molecular formula of Melphalan ethyl ester hydrochloride is C15H23Cl3N2O2.
What is the molecular weight of Melphalan ethyl ester hydrochloride?
The molecular weight of Melphalan ethyl ester hydrochloride is 368.08 g/mol.
Where can I buy Melphalan ethyl ester hydrochloride?
You can request a quote for Melphalan ethyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Melphalan ethyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Melphalan ethyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.