1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane
TL;DR: 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane (CAS 20120-32-5) is a chemical compound with molecular formula C12H18Cl3N3O3 and molecular weight 357.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis(3-chloropropanoyl)-1,3,5-triazinan-1-yl]-3-chloropropan-1-one
Also Known As: 1,3,5-tris(3-chloropropanoyl)-1,3,5-triazinane, J1.608.985K, 1,3,5-tris-(3-chloro-propionyl)-[1,3,5]triazinane, 1,3,5-Tris(3-chloropropanoyl)hexahydro-1,3,5-triazine, 1,3,5-TRIS(3-CHLOROPROPIONYL)HEXAHYDRO-S-TRIAZ*
| Molecular Formula | C12H18Cl3N3O3 |
|---|---|
| Molecular Weight | 357.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.04138 |
| Heavy Atoms | 21 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 20120-32-5 |
|---|---|
| SMILES | C1N(CN(CN1C(=O)CCCl)C(=O)CCCl)C(=O)CCCl |
| InChIKey | WCXJRMAQDBCAKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane (CAS 20120-32-5), with molecular formula C12H18Cl3N3O3 and molecular weight 357.04 g/mol. IUPAC: 1-[3,5-bis(3-chloropropanoyl)-1,3,5-triazinan-1-yl]-3-chloropropan-1-one.
Chemical Property Profile of 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane
Property Insights of 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane. Following Lipinski's Rule of Five, 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane?
The CAS number of 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane is 20120-32-5.
What is the molecular formula of 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane?
The molecular formula of 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane is C12H18Cl3N3O3.
What is the molecular weight of 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane?
The molecular weight of 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane is 357.04 g/mol.
Where can I buy 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane?
You can request a quote for 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.