BMPPO
TL;DR: BMPPO (CAS 86181-45-5) is a chemical compound with molecular formula C21H24BrN5O2 and molecular weight 457.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-[[6-(hydroxymethyl)-3-pyridinyl]methyl]-1H-pyrimidin-6-one
Also Known As: BMPPO, 2-(4-(5-Bromo-3-methylpyrid-2-yl)butylamino)-5-(6-hydroxymethylpyrid-3-ylmethyl)pyrimidin-4(1H)-one, 2-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]-5-[[6-(hydroxymethyl)pyridin-3-yl]methyl]-1H-pyrimidin-6-one, 2-{[4-(5-Bromo-3-methylpyridin-2-yl)butyl]amino}-5-{[6-(hydroxymethyl)pyridin-3-yl]methyl}pyrimidin-4(3H)-one, 4(1H)-Pyrimidinone, 2-((4-(5-bromo-3-methyl-2-pyridinyl)butyl)amino)-5-((6-(hydroxymethyl)-3-pyridinyl)methyl)-
| Molecular Formula | C21H24BrN5O2 |
|---|---|
| Molecular Weight | 457.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 457.11133 |
| Heavy Atoms | 29 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 86181-45-5 |
|---|---|
| SMILES | CC1=CC(=CN=C1CCCCNC2=NC=C(C(=O)N2)CC3=CN=C(C=C3)CO)Br |
| InChIKey | SXSHYAOWPZTASF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BMPPO (CAS 86181-45-5), with molecular formula C21H24BrN5O2 and molecular weight 457.11 g/mol. IUPAC: 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-[[6-(hydroxymethyl)-3-pyridinyl]methyl]-1H-pyrimidin-6-one.
Chemical Property Profile of BMPPO
Property Insights of BMPPO
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BMPPO. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BMPPO. Following Lipinski's Rule of Five, BMPPO has 3 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 BMPPO?
The CAS number of BMPPO is 86181-45-5.
What is the molecular formula of BMPPO?
The molecular formula of BMPPO is C21H24BrN5O2.
What is the molecular weight of BMPPO?
The molecular weight of BMPPO is 457.11 g/mol.
Where can I buy BMPPO?
You can request a quote for BMPPO directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BMPPO?
Yes, KEHONG BIO provides custom synthesis services for BMPPO and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.