BRD-K80629844-001-06-1
TL;DR: BRD-K80629844-001-06-1 (CAS 673444-12-7) is a chemical compound with molecular formula C17H22FN7O3 and molecular weight 391.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(4-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: BRD-K80629844-001-06-1, 4-N-(4-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine, N'-(4-Fluoro-phenyl)-N-(3-morpholin-4-yl-propyl)-5-nitro-pyrimidine-2,4,6-triamine, [4-amino-6-(4-fluoroanilino)-5-nitro-pyrimidin-2-yl]-(3-morpholinopropyl)amine, {6-amino-2-[(3-morpholin-4-ylpropyl)amino]-5-nitropyrimidin-4-yl}(4-fluorophen yl)amine
| Molecular Formula | C17H22FN7O3 |
|---|---|
| Molecular Weight | 391.18 g/mol |
| LogP | 1.9839 |
| Topological Polar Surface Area | 131.47 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.17682 |
| Heavy Atoms | 28 |
| Complexity | 813.14343 |
Chemical Identifiers
| CAS Number | 673444-12-7 |
|---|---|
| SMILES | C1COCCN1CCCNC2=NC(=C(C(=N2)NC3=CC=C(C=C3)F)[N+](=O)[O-])N |
Product Overview
BRD-K80629844-001-06-1 (CAS 673444-12-7), with molecular formula C17H22FN7O3 and molecular weight 391.18 g/mol. IUPAC: 4-N-(4-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of BRD-K80629844-001-06-1
Property Insights of BRD-K80629844-001-06-1
The XLogP value of 1.9839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K80629844-001-06-1. The TPSA of 131.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K80629844-001-06-1. Following Lipinski's Rule of Five, BRD-K80629844-001-06-1 has 3 hydrogen bond donor(s) and 9 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 BRD-K80629844-001-06-1?
The CAS number of BRD-K80629844-001-06-1 is 673444-12-7.
What is the molecular formula of BRD-K80629844-001-06-1?
The molecular formula of BRD-K80629844-001-06-1 is C17H22FN7O3.
What is the molecular weight of BRD-K80629844-001-06-1?
The molecular weight of BRD-K80629844-001-06-1 is 391.18 g/mol.
Where can I buy BRD-K80629844-001-06-1?
You can request a quote for BRD-K80629844-001-06-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K80629844-001-06-1?
Yes, KEHONG BIO provides custom synthesis services for BRD-K80629844-001-06-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.