![N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide structure](/static/products/758/758722-51-9.png)
N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide
TL;DR: N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide (CAS 758722-51-9) is a chemical compound with molecular formula C27H31N5O3 and molecular weight 473.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-methylbenzamide
Also Known As: N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide, (+/-)-N-(3-Amino-propyl)-N-[1-(5-benzyl-3-methyl-4-oxo-4,5-dihydro-isoxazolo[5,4-d]pyrimidin-6-yl)-propyl]-4-methyl-benzamide
| Molecular Formula | C27H31N5O3 |
|---|---|
| Molecular Weight | 473.24 g/mol |
| LogP | 3.99194 |
| Topological Polar Surface Area | 107.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.24268 |
| Heavy Atoms | 35 |
| Complexity | 1359.5983 |
Chemical Identifiers
| CAS Number | 758722-51-9 |
|---|---|
| SMILES | CCC(C1=NC2=C(C(=NO2)C)C(=O)N1CC3=CC=CC=C3)N(CCCN)C(=O)C4=CC=C(C=C4)C |
Product Overview
N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide (CAS 758722-51-9), with molecular formula C27H31N5O3 and molecular weight 473.24 g/mol. IUPAC: N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propyl]-4-methylbenzamide.
Chemical Property Profile of N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide
Property Insights of N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide
The XLogP value of 3.99194 indicates that N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide. Following Lipinski's Rule of Five, N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide has 1 hydrogen bond donor(s) and 6 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 N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide?
The CAS number of N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide is 758722-51-9.
What is the molecular formula of N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide?
The molecular formula of N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide is C27H31N5O3.
What is the molecular weight of N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide?
The molecular weight of N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide is 473.24 g/mol.
Where can I buy N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide?
You can request a quote for N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Aminopropyl)-N-[1-[4,5-dihydro-3-methyl-4-oxo-5-(phenylmethyl)isoxazolo[5,4-d]pyrimidin-6-yl]propyl]-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.