BRN 4827013
TL;DR: BRN 4827013 (CAS 139157-71-4) is a chemical compound with molecular formula C21H33N5O2 and molecular weight 387.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dicyclohexyl-5-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1,3-diazinane
Also Known As: Pyrimidine, hexahydro-1,3-dicyclohexyl-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)-, 1,3-Dicyclohexylhexah ydro-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)pyrimidine, Hexahydro-1,3-dicyclohexyl-5-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)pyrimidine, 1,3-dicyclohexyl-5-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylidene]-1,3-diazinane, 1,3-Dicyclohexyl-5-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]hexahydropyrimidine
| Molecular Formula | C21H33N5O2 |
|---|---|
| Molecular Weight | 387.26 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.26343 |
| Heavy Atoms | 28 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 139157-71-4 |
|---|---|
| SMILES | CN1C(=CN=C1C=C2CN(CN(C2)C3CCCCC3)C4CCCCC4)[N+](=O)[O-] |
| InChIKey | INXKYGNDBQSYEC-UHFFFAOYSA-N |
Product Overview
BRN 4827013 (CAS 139157-71-4), with molecular formula C21H33N5O2 and molecular weight 387.26 g/mol. IUPAC: 1,3-dicyclohexyl-5-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1,3-diazinane.
Chemical Property Profile of BRN 4827013
Property Insights of BRN 4827013
The XLogP value of 3.3 indicates that BRN 4827013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 4827013. Following Lipinski's Rule of Five, BRN 4827013 has 0 hydrogen bond donor(s) and 5 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 BRN 4827013?
The CAS number of BRN 4827013 is 139157-71-4.
What is the molecular formula of BRN 4827013?
The molecular formula of BRN 4827013 is C21H33N5O2.
What is the molecular weight of BRN 4827013?
The molecular weight of BRN 4827013 is 387.26 g/mol.
Where can I buy BRN 4827013?
You can request a quote for BRN 4827013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 4827013?
Yes, KEHONG BIO provides custom synthesis services for BRN 4827013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.