![3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one structure](/static/products/846/846062-04-2.png)
3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one
TL;DR: 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one (CAS 846062-04-2) is a chemical compound with molecular formula C27H27N3O3 and molecular weight 441.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
Also Known As: 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one, 3-Benzyl-4-imino-10-(4-methoxy-phenyl)-7,7-dimethyl-3,4,6,7,8,10-hexahydro-9-oxa-1,3-diaza-anthrac en-5-one, 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one, 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
| Molecular Formula | C27H27N3O3 |
|---|---|
| Molecular Weight | 441.21 g/mol |
| LogP | 4.58697 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.20523 |
| Heavy Atoms | 33 |
| Complexity | 1304.6882 |
Chemical Identifiers
| CAS Number | 846062-04-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)N=CN(C3=N)CC4=CC=CC=C4)C5=CC=C(C=C5)OC)C(=O)C1)C |
Product Overview
3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one (CAS 846062-04-2), with molecular formula C27H27N3O3 and molecular weight 441.21 g/mol. IUPAC: 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one.
Chemical Property Profile of 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one
Property Insights of 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one
The XLogP value of 4.58697 indicates that 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-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 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one. Following Lipinski's Rule of Five, 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one has 1 hydrogen bond donor(s) and 5 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-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one?
The CAS number of 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is 846062-04-2.
What is the molecular formula of 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one?
The molecular formula of 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is C27H27N3O3.
What is the molecular weight of 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one?
The molecular weight of 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is 441.21 g/mol.
Where can I buy 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one?
You can request a quote for 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-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-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-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.