![3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one structure](/static/products/845/845804-93-5.png)
3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one
TL;DR: 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one (CAS 845804-93-5) is a chemical compound with molecular formula C28H29N3O4 and molecular weight 471.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
Also Known As: 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one, 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one, 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
| Molecular Formula | C28H29N3O4 |
|---|---|
| Molecular Weight | 471.22 g/mol |
| LogP | 4.59557 |
| Topological Polar Surface Area | 86.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.21582 |
| Heavy Atoms | 35 |
| Complexity | 1389.0565 |
Chemical Identifiers
| CAS Number | 845804-93-5 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)N=CN(C3=N)CC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)C(=O)C1)C |
Product Overview
3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one (CAS 845804-93-5), with molecular formula C28H29N3O4 and molecular weight 471.22 g/mol. IUPAC: 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one.
Chemical Property Profile of 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one
Property Insights of 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one
The XLogP value of 4.59557 indicates that 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-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 86.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-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-5-(3,4-dimethoxyphenyl)-4-imino-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 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-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one?
The CAS number of 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is 845804-93-5.
What is the molecular formula of 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one?
The molecular formula of 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is C28H29N3O4.
What is the molecular weight of 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one?
The molecular weight of 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-8,8-dimethyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is 471.22 g/mol.
Where can I buy 3-benzyl-5-(3,4-dimethoxyphenyl)-4-imino-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-5-(3,4-dimethoxyphenyl)-4-imino-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-5-(3,4-dimethoxyphenyl)-4-imino-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-5-(3,4-dimethoxyphenyl)-4-imino-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.