![4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one structure](/static/products/4010/40106-45-4.webp)
4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one
TL;DR: 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one (CAS 40106-45-4) is a chemical compound with molecular formula C23H27N3O3 and molecular weight 393.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]pyrimidin-2-one
Also Known As: 4-amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one, 4-amino-1-[4-3-[methyl]butyl]-2 -pyrimidone, 4-Amino-1-[4- -3-[ methyl]butyl]-2 -pyrimidone, 2(1H)-Pyrimidinone, 4-amino-1-[4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]butyl]-, 4-Amino-1-(4-(benzyloxy)-3-((benzyloxy)methyl)butyl)pyrimidin-2(1H)-one
| Molecular Formula | C23H27N3O3 |
|---|---|
| Molecular Weight | 393.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 393.20523 |
| Heavy Atoms | 29 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 40106-45-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COCC(CCN2C=CC(=NC2=O)N)COCC3=CC=CC=C3 |
| InChIKey | IHOPTXNWMWCHGG-UHFFFAOYSA-N |
Product Overview
4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one (CAS 40106-45-4), with molecular formula C23H27N3O3 and molecular weight 393.21 g/mol. IUPAC: 4-amino-1-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]pyrimidin-2-one.
Chemical Property Profile of 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one
Property Insights of 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one. Following Lipinski's Rule of Five, 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one has 1 hydrogen bond donor(s) and 3 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 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one?
The CAS number of 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one is 40106-45-4.
What is the molecular formula of 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one?
The molecular formula of 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one is C23H27N3O3.
What is the molecular weight of 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one?
The molecular weight of 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one is 393.21 g/mol.
Where can I buy 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one?
You can request a quote for 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-1-{4-(benzyloxy)-3-[(benzyloxy)methyl]butyl}pyrimidin-2(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.