Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate
TL;DR: Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate (CAS 519044-90-7) is a chemical compound with molecular formula C28H32N2O4 and molecular weight 460.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl]benzoate
Also Known As: Methyl 4-[1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl]benzoate, methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate, methyl 4-[1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl]benzoate
| Molecular Formula | C28H32N2O4 |
|---|---|
| Molecular Weight | 460.24 g/mol |
| LogP | 4.8971 |
| Topological Polar Surface Area | 51.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.2362 |
| Heavy Atoms | 34 |
| Complexity | 1007.57007 |
Chemical Identifiers
| CAS Number | 519044-90-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2CCCN(C2C3=CC=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)OC |
Product Overview
Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate (CAS 519044-90-7), with molecular formula C28H32N2O4 and molecular weight 460.24 g/mol. IUPAC: methyl 4-[1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl]benzoate.
Chemical Property Profile of Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate
Property Insights of Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate
The XLogP value of 4.8971 indicates that Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.24 Ų, Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate has 0 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 Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate?
The CAS number of Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate is 519044-90-7.
What is the molecular formula of Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate?
The molecular formula of Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate is C28H32N2O4.
What is the molecular weight of Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate?
The molecular weight of Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate is 460.24 g/mol.
Where can I buy Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate?
You can request a quote for Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(1,3-bis(4-methoxybenzyl)hexahydropyrimidin-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.