5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮
TL;DR: 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮 (CAS 16356-33-5) is a chemical compound with molecular formula C9H19N3O3 and molecular weight 217.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮
5-butyl-1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one
Also Known As: undecatriene-1E, 5-butyl-1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one, 5-Butyltetrahydro-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one, 1,3,5-Triazin-2(1H)-one, 5-butyltetrahydro-1,3-bis(hydroxymethyl)-, s-Triazin-2(1H)-one, 5-butyltetrahydro-1,3-bis(hydroxymethyl)-
| Molecular Formula | C9H19N3O3 |
|---|---|
| Molecular Weight | 217.14 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 67.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.14264 |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 16356-33-5 |
|---|---|
| SMILES | CCCCN1CN(C(=O)N(C1)CO)CO |
| InChIKey | DIXQPRZAXALJGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮 (CAS 16356-33-5), with molecular formula C9H19N3O3 and molecular weight 217.14 g/mol. IUPAC: 5-butyl-1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one.
Chemical Property Profile of 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮
Property Insights of 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮. The TPSA of 67.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮. Following Lipinski's Rule of Five, 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮 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
Frequently Asked Questions
What is the CAS number of 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮?
The CAS number of 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮 is 16356-33-5.
What is the molecular formula of 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮?
The molecular formula of 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮 is C9H19N3O3.
What is the molecular weight of 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮?
The molecular weight of 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮 is 217.14 g/mol.
Where can I buy 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮?
You can request a quote for 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮?
Yes, KEHONG BIO provides custom synthesis services for 5-丁基四氢-1,3-双(羟甲基)-1,3,5-三嗪-2(1H)-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.