1,3-DP-Chlorambucil
TL;DR: 1,3-DP-Chlorambucil (CAS 85763-07-1) is a chemical compound with molecular formula C49H85Cl2NO6 and molecular weight 853.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]-3-hexadecanoyloxypropyl] hexadecanoate
Also Known As: 1,3-DP-Chlorambucil, 1,3-Dipalmitoyl-2-(4-(bis(2-chloroethyl)amino)benzenebutanoyl)glycerol, [2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]-3-hexadecanoyloxypropyl] hexadecanoate, 2-[(4-{4-[bis(2-chloroethyl)amino]phenyl}butanoyl)oxy]propane-1,3-diyl dihexadecanoate, Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-, 2-((1-oxohexadecyl)oxy)-1-(((1-oxohexadecyl)oxy)methyl)ethyl ester
| Molecular Formula | C49H85Cl2NO6 |
|---|---|
| Molecular Weight | 853.58 g/mol |
| LogP | 18.2 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 45 |
| Exact Mass | 853.5754 |
| Heavy Atoms | 58 |
| Complexity | 894.0 |
Chemical Identifiers
| CAS Number | 85763-07-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | ONYSZSAXTDHFPL-UHFFFAOYSA-N |
Product Overview
1,3-DP-Chlorambucil (CAS 85763-07-1), with molecular formula C49H85Cl2NO6 and molecular weight 853.58 g/mol. IUPAC: [2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]-3-hexadecanoyloxypropyl] hexadecanoate.
Chemical Property Profile of 1,3-DP-Chlorambucil
Property Insights of 1,3-DP-Chlorambucil
The XLogP value of 18.2 indicates that 1,3-DP-Chlorambucil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-DP-Chlorambucil. Following Lipinski's Rule of Five, 1,3-DP-Chlorambucil has 0 hydrogen bond donor(s) and 7 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-Chlorambucil?
The CAS number of 1,3-DP-Chlorambucil is 85763-07-1.
What is the molecular formula of 1,3-DP-Chlorambucil?
The molecular formula of 1,3-DP-Chlorambucil is C49H85Cl2NO6.
What is the molecular weight of 1,3-DP-Chlorambucil?
The molecular weight of 1,3-DP-Chlorambucil is 853.58 g/mol.
Where can I buy 1,3-DP-Chlorambucil?
You can request a quote for 1,3-DP-Chlorambucil 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-Chlorambucil?
Yes, KEHONG BIO provides custom synthesis services for 1,3-DP-Chlorambucil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.