BRD-K83312694-001-05-4
TL;DR: BRD-K83312694-001-05-4 (CAS 577962-48-2) is a chemical compound with molecular formula C17H22ClN7O3 and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(3-chlorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: BRD-K83312694-001-05-4, 4-N-(3-chlorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine, N'-(3-Chloro-phenyl)-N-(3-morpholin-4-yl-propyl)-5-nitro-pyrimidine-2,4,6-triamine, N4-(3-chlorophenyl)-N2-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine, [4-amino-6-(3-chloroanilino)-5-nitro-pyrimidin-2-yl]-(3-morpholinopropyl)amine
| Molecular Formula | C17H22ClN7O3 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 2.4982 |
| Topological Polar Surface Area | 131.47 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.14728 |
| Heavy Atoms | 28 |
| Complexity | 830.39343 |
Chemical Identifiers
| CAS Number | 577962-48-2 |
|---|---|
| SMILES | C1COCCN1CCCNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-])N |
Product Overview
BRD-K83312694-001-05-4 (CAS 577962-48-2), with molecular formula C17H22ClN7O3 and molecular weight 407.15 g/mol. IUPAC: 4-N-(3-chlorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of BRD-K83312694-001-05-4
Property Insights of BRD-K83312694-001-05-4
The XLogP value of 2.4982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K83312694-001-05-4. The TPSA of 131.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K83312694-001-05-4. Following Lipinski's Rule of Five, BRD-K83312694-001-05-4 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-K83312694-001-05-4?
The CAS number of BRD-K83312694-001-05-4 is 577962-48-2.
What is the molecular formula of BRD-K83312694-001-05-4?
The molecular formula of BRD-K83312694-001-05-4 is C17H22ClN7O3.
What is the molecular weight of BRD-K83312694-001-05-4?
The molecular weight of BRD-K83312694-001-05-4 is 407.15 g/mol.
Where can I buy BRD-K83312694-001-05-4?
You can request a quote for BRD-K83312694-001-05-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K83312694-001-05-4?
Yes, KEHONG BIO provides custom synthesis services for BRD-K83312694-001-05-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.