COAC
TL;DR: COAC (CAS 130676-88-9) is a chemical compound with molecular formula C34H55Cl2NO4 and molecular weight 611.3508 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 (Z)-octadec-9-enoate
Also Known As: COAC, Chlorambucil-oleic acid conjugate, 2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]ethyl (Z)-octadec-9-enoate, Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-, 2-((1-oxo-9-octadecenyl)oxy)ethyl ester, (Z)-, 2-[(4-{4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}BUTANOYL)OXY]ETHYL (9Z)-OCTADEC-9-ENOATE
Technical Specifications
| Molecular Formula | C34H55Cl2NO4 |
| Molecular Weight | 611.3508 g/mol |
| XLogP | 11.0 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 29 |
| Exact Mass | 611.3508 Da |
| Heavy Atoms | 41 |
| Complexity | 647.0 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCCOC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | JURXPCSUZDDGRL-KTKRTIGZSA-N |
Chemical Property Profile of COAC
Property Insights of COAC
The XLogP value of 11.0 indicates that COAC is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, COAC exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, COAC 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 COAC?
The CAS number of COAC is 130676-88-9.
What is the molecular formula of COAC?
The molecular formula of COAC is C34H55Cl2NO4.
What is the molecular weight of COAC?
The molecular weight of COAC is 611.3508 g/mol.
Where can I buy COAC?
You can request a quote for COAC directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for COAC?
Yes, CoreyChem provides custom synthesis services for COAC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.