Chlorambucil-docosahexaenoic acid conjugate
TL;DR: Chlorambucil-docosahexaenoic acid conjugate (CAS 130388-13-5) is a chemical compound with molecular formula C38H53Cl2NO4 and molecular weight 657.33514 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]ethyl (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
Also Known As: CDAC, Chlorambucil-docosahexaenoic acid conjugate, 2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]ethyl (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate, Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-, 2-((1-oxodocosahexaenyl)oxy)ethyl ester
Technical Specifications
| Molecular Formula | C38H53Cl2NO4 |
| Molecular Weight | 657.33514 g/mol |
| XLogP | 11.8 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 28 |
| Exact Mass | 657.33514 Da |
| Heavy Atoms | 45 |
| Complexity | 911.0 |
| SMILES | CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OCCOC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | UDQDXYKYBHKBTI-IZDIIYJESA-N |
Chemical Property Profile of Chlorambucil-docosahexaenoic acid conjugate
Property Insights of Chlorambucil-docosahexaenoic acid conjugate
The XLogP value of 11.8 indicates that Chlorambucil-docosahexaenoic acid conjugate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Chlorambucil-docosahexaenoic acid conjugate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorambucil-docosahexaenoic acid conjugate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Chlorambucil-docosahexaenoic acid conjugate?
The CAS number of Chlorambucil-docosahexaenoic acid conjugate is 130388-13-5.
What is the molecular formula of Chlorambucil-docosahexaenoic acid conjugate?
The molecular formula of Chlorambucil-docosahexaenoic acid conjugate is C38H53Cl2NO4.
What is the molecular weight of Chlorambucil-docosahexaenoic acid conjugate?
The molecular weight of Chlorambucil-docosahexaenoic acid conjugate is 657.33514 g/mol.
Where can I buy Chlorambucil-docosahexaenoic acid conjugate?
You can request a quote for Chlorambucil-docosahexaenoic acid conjugate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorambucil-docosahexaenoic acid conjugate?
Yes, CoreyChem provides custom synthesis services for Chlorambucil-docosahexaenoic acid conjugate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.