Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt
TL;DR: Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt (CAS 63917-16-8) is a chemical compound with molecular formula C17H26Cl2N2O3 and molecular weight 376.13205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[bis(2-chloroethyl)amino]phenyl]-2-hydroxyacetate;piperidin-1-ium
Also Known As: 4-(Di-2'-chloroethylamino)mandelic acid, piperidine salt, MANDELIC ACID, 4-(DI-2'-CHLOROETHYLAMINO)-, PIPERIDINE SALT, 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-hydroxyacetate; piperidin-1-ium, Benzeneacetic acid, 4-[bis(2-chloroethyl)amino]-.alpha.-hydroxy-, compd. with piperidine (1:1)
Technical Specifications
| Molecular Formula | C17H26Cl2N2O3 |
| Molecular Weight | 376.13205 g/mol |
| XLogP | 0.49 |
| Topological Polar Surface Area (TPSA) | 80.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.13205 Da |
| Heavy Atoms | 24 |
| Complexity | 277.0 |
| SMILES | C1CC[NH2+]CC1.C1=CC(=CC=C1C(C(=O)[O-])O)N(CCCl)CCCl |
| InChIKey | HFTCENAFGQQVDK-UHFFFAOYSA-N |
Chemical Property Profile of Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt
Property Insights of Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt
The XLogP value of 0.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt. Following Lipinski's Rule of Five, Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt 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 Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt?
The CAS number of Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt is 63917-16-8.
What is the molecular formula of Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt?
The molecular formula of Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt is C17H26Cl2N2O3.
What is the molecular weight of Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt?
The molecular weight of Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt is 376.13205 g/mol.
Where can I buy Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt?
You can request a quote for Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt?
Yes, CoreyChem provides custom synthesis services for Mandelic acid, 4-(di-2'-chloroethylamino)-, piperidine salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.