1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine
TL;DR: 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine (CAS 5022-80-0) is a chemical compound with molecular formula C28H42N2O4 and molecular weight 470.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[(3,4-dimethoxyphenyl)methyl]-2-hexyl-1,3-diazinane
Also Known As: 1,3-bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine, KST-1B5313, 1,3-bis[(3,4-dimethoxyphenyl)methyl]-2-hexyl-1,3-diazinane
| Molecular Formula | C28H42N2O4 |
|---|---|
| Molecular Weight | 470.31 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 470.31445 |
| Heavy Atoms | 34 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 5022-80-0 |
|---|---|
| SMILES | CCCCCCC1N(CCCN1CC2=CC(=C(C=C2)OC)OC)CC3=CC(=C(C=C3)OC)OC |
| InChIKey | PKHKLPGASDLLCF-UHFFFAOYSA-N |
Product Overview
1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine (CAS 5022-80-0), with molecular formula C28H42N2O4 and molecular weight 470.31 g/mol. IUPAC: 1,3-bis[(3,4-dimethoxyphenyl)methyl]-2-hexyl-1,3-diazinane.
Chemical Property Profile of 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine
Property Insights of 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine
The XLogP value of 6.3 indicates that 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine?
The CAS number of 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine is 5022-80-0.
What is the molecular formula of 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine?
The molecular formula of 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine is C28H42N2O4.
What is the molecular weight of 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine?
The molecular weight of 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine is 470.31 g/mol.
Where can I buy 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine?
You can request a quote for 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(3,4-dimethoxybenzyl)-2-hexylhexahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.