Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro-
TL;DR: Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro- (CAS 56672-87-8) is a chemical compound with molecular formula C21H43N3O2 and molecular weight 369.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2-ethylhexyl)-5-methyl-5-nitro-1,3-diazinane
Also Known As: 1,3-Bis(2-ethylhexyl)hexahydro-5-methyl-5-nitropyrimidine, 1,3-bis(2-ethylhexyl)-5-methyl-5-nitro-1,3-diazinane, L-Proline,glycyl-L-prolyl-L-isoleucylglycyl, Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro-, 1,3-bis(2-ethylhexyl)-5-methyl-5-nitrohexahydropyrimidine
| Molecular Formula | C21H43N3O2 |
|---|---|
| Molecular Weight | 369.34 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 369.33554 |
| Heavy Atoms | 26 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 56672-87-8 |
|---|---|
| SMILES | CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)[N+](=O)[O-] |
| InChIKey | LGMAAKQUWQWLTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro- (CAS 56672-87-8), with molecular formula C21H43N3O2 and molecular weight 369.34 g/mol. IUPAC: 1,3-bis(2-ethylhexyl)-5-methyl-5-nitro-1,3-diazinane.
Chemical Property Profile of Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro-
Property Insights of Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro-
The XLogP value of 6.5 indicates that Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro-?
The CAS number of Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro- is 56672-87-8.
What is the molecular formula of Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro-?
The molecular formula of Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro- is C21H43N3O2.
What is the molecular weight of Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro-?
The molecular weight of Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro- is 369.34 g/mol.
Where can I buy Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro-?
You can request a quote for Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.