1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
TL;DR: 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione (CAS 57563-03-8) is a chemical compound with molecular formula C15H24Cl2N2O3 and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione, 1,3-bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazina
| Molecular Formula | C15H24Cl2N2O3 |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 350.1164 |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 57563-03-8 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)CCCl)CCCl)CCC(C)C |
| InChIKey | IKTKWLYEGAPTMA-UHFFFAOYSA-N |
Product Overview
1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione (CAS 57563-03-8), with molecular formula C15H24Cl2N2O3 and molecular weight 350.12 g/mol. IUPAC: 1,3-bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Property Insights of 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
The XLogP value of 3.4 indicates that 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione 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-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione?
The CAS number of 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione is 57563-03-8.
What is the molecular formula of 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione?
The molecular formula of 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione is C15H24Cl2N2O3.
What is the molecular weight of 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione?
The molecular weight of 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione is 350.12 g/mol.
Where can I buy 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione?
You can request a quote for 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.