1,3-DP-melphalan
TL;DR: 1,3-DP-melphalan (CAS 144558-52-1) is a chemical compound with molecular formula C48H84Cl2N2O6 and molecular weight 854.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]oxy-3-hexadecanoyloxypropyl] hexadecanoate
Also Known As: 1,3-DP-melphalan, 1,3-Dipalmitoyl melphalan, 4-(Bis(2-chloroethyl)amino)-L-phenylalanine 2-((1-oxohexadecyl)oxy)-1-(((1-oxohexadecyl)oxy)methyl)ethyl ester, 1,3-Dipalmitoyl-2-(4'-(bis(2''-chloroethyl)amino)phenylalaninoyl)glycerol, [2-[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]oxy-3-hexadecanoyloxypropyl] hexadecanoate
| Molecular Formula | C48H84Cl2N2O6 |
|---|---|
| Molecular Weight | 854.57 g/mol |
| LogP | 17.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 44 |
| Exact Mass | 854.5706 |
| Heavy Atoms | 58 |
| Complexity | 914.0 |
Chemical Identifiers
| CAS Number | 144558-52-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)N |
| InChIKey | NBKIVYGYYZKPLC-GWHBCOKCSA-N |
Product Overview
1,3-DP-melphalan (CAS 144558-52-1), with molecular formula C48H84Cl2N2O6 and molecular weight 854.57 g/mol. IUPAC: [2-[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]oxy-3-hexadecanoyloxypropyl] hexadecanoate.
Chemical Property Profile of 1,3-DP-melphalan
Property Insights of 1,3-DP-melphalan
The XLogP value of 17.0 indicates that 1,3-DP-melphalan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-DP-melphalan. Following Lipinski's Rule of Five, 1,3-DP-melphalan has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-DP-melphalan?
The CAS number of 1,3-DP-melphalan is 144558-52-1.
What is the molecular formula of 1,3-DP-melphalan?
The molecular formula of 1,3-DP-melphalan is C48H84Cl2N2O6.
What is the molecular weight of 1,3-DP-melphalan?
The molecular weight of 1,3-DP-melphalan is 854.57 g/mol.
Where can I buy 1,3-DP-melphalan?
You can request a quote for 1,3-DP-melphalan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-DP-melphalan?
Yes, KEHONG BIO provides custom synthesis services for 1,3-DP-melphalan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.