Lofenal
TL;DR: Lofenal (CAS 148888-66-8) is a chemical compound with molecular formula C21H24Cl2N2O3 and molecular weight 422.1164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-phenylpropanoic acid
Also Known As: Lofenal, (2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-phenylpropanoic acid, N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-dl-phenylalanine, n-({4-[bis(2-chloroethyl)amino]phenyl}acetyl)-l-phenylalanine, 2-[[2-[4-[Bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-phenylpropanoic acid
Technical Specifications
| Molecular Formula | C21H24Cl2N2O3 |
| Molecular Weight | 422.1164 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 422.1164 Da |
| Heavy Atoms | 28 |
| Complexity | 472.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | WOJORPYBSQEBBK-IBGZPJMESA-N |
Chemical Property Profile of Lofenal
Property Insights of Lofenal
The XLogP value of 4.0 indicates that Lofenal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Lofenal. Following Lipinski's Rule of Five, Lofenal 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
What is the CAS number of Lofenal?
The CAS number of Lofenal is 148888-66-8.
What is the molecular formula of Lofenal?
The molecular formula of Lofenal is C21H24Cl2N2O3.
What is the molecular weight of Lofenal?
The molecular weight of Lofenal is 422.1164 g/mol.
Where can I buy Lofenal?
You can request a quote for Lofenal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Lofenal?
Yes, CoreyChem provides custom synthesis services for Lofenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.