![3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one structure](/static/products/848/848745-47-1.png)
3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one
TL;DR: 3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one (CAS 848745-47-1) is a chemical compound with molecular formula C29H31N3O4 and molecular weight 485.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
Also Known As: 3-(3,4-dimethoxyphenethyl)-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-dimethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
| Molecular Formula | C29H31N3O4 |
|---|---|
| Molecular Weight | 485.23 g/mol |
| LogP | 4.78997 |
| Topological Polar Surface Area | 86.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.23145 |
| Heavy Atoms | 36 |
| Complexity | 1405.7618 |
Chemical Identifiers
| CAS Number | 848745-47-1 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)N=CN(C3=N)CCC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)C(=O)C1)C |
Product Overview
3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one (CAS 848745-47-1), with molecular formula C29H31N3O4 and molecular weight 485.23 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-imino-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one.
Chemical Property Profile of 3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one
Property Insights of 3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one
The XLogP value of 4.78997 indicates that 3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-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 86.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one. Following Lipinski's Rule of Five, 3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one has 1 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 3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one?
The CAS number of 3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one is 848745-47-1.
What is the molecular formula of 3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one?
The molecular formula of 3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one is C29H31N3O4.
What is the molecular weight of 3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one?
The molecular weight of 3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one is 485.23 g/mol.
Where can I buy 3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one?
You can request a quote for 3-(3,4-dimethoxyphenethyl)-4-imino-8,8-dimethyl-5-phenyl-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)-4-imino-8,8-dimethyl-5-phenyl-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)-4-imino-8,8-dimethyl-5-phenyl-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.