![3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one structure](/static/products/848/848920-01-4.png)
3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one
TL;DR: 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one (CAS 848920-01-4) is a chemical compound with molecular formula C31H35N3O4 and molecular weight 513.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
Also Known As: 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one, 3-(3,4-diethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one, 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
| Molecular Formula | C31H35N3O4 |
|---|---|
| Molecular Weight | 513.26 g/mol |
| LogP | 5.57017 |
| Topological Polar Surface Area | 86.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.26276 |
| Heavy Atoms | 38 |
| Complexity | 1439.2238 |
Chemical Identifiers
| CAS Number | 848920-01-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CCN2C=NC3=C(C2=N)C(C4=C(O3)CC(CC4=O)(C)C)C5=CC=CC=C5)OCC |
Product Overview
3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one (CAS 848920-01-4), with molecular formula C31H35N3O4 and molecular weight 513.26 g/mol. IUPAC: 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one.
Chemical Property Profile of 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one
Property Insights of 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one
The XLogP value of 5.57017 indicates that 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one. Following Lipinski's Rule of Five, 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one has 1 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 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one?
The CAS number of 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is 848920-01-4.
What is the molecular formula of 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one?
The molecular formula of 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is C31H35N3O4.
What is the molecular weight of 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one?
The molecular weight of 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is 513.26 g/mol.
Where can I buy 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one?
You can request a quote for 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(3,4-diethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.