![3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one structure](/static/products/845/845668-56-6.png)
3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one
TL;DR: 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one (CAS 845668-56-6) is a chemical compound with molecular formula C31H35N3O6 and molecular weight 545.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
Also Known As: 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one, 5-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one, 5-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
| Molecular Formula | C31H35N3O6 |
|---|---|
| Molecular Weight | 545.25 g/mol |
| LogP | 4.80717 |
| Topological Polar Surface Area | 104.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.25256 |
| Heavy Atoms | 40 |
| Complexity | 1555.1008 |
Chemical Identifiers
| CAS Number | 845668-56-6 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)N=CN(C3=N)CCC4=CC(=C(C=C4)OC)OC)C5=CC(=C(C=C5)OC)OC)C(=O)C1)C |
Product Overview
3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one (CAS 845668-56-6), with molecular formula C31H35N3O6 and molecular weight 545.25 g/mol. IUPAC: 5-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one.
Chemical Property Profile of 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one
Property Insights of 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one
The XLogP value of 4.80717 indicates that 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one. Following Lipinski's Rule of Five, 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one?
The CAS number of 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one is 845668-56-6.
What is the molecular formula of 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one?
The molecular formula of 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one is C31H35N3O6.
What is the molecular weight of 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one?
The molecular weight of 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one is 545.25 g/mol.
Where can I buy 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one?
You can request a quote for 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dimethoxyphenethyl)-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.