![3-[3-(1H-imidazol-1-yl)propyl]-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/846/846064-01-5.png)
3-[3-(1H-imidazol-1-yl)propyl]-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-[3-(1H-imidazol-1-yl)propyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one (CAS 846064-01-5) is a chemical compound with molecular formula C25H27N5O2 and molecular weight 429.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-imidazol-1-ylpropyl)-4-imino-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
Also Known As: 3-[3-(1H-imidazol-1-yl)propyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one, 3-(3-(1H-imidazol-1-yl)propyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one, 3-(3-imidazol-1-ylpropyl)-4-imino-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
| Molecular Formula | C25H27N5O2 |
|---|---|
| Molecular Weight | 429.22 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.21646 |
| Heavy Atoms | 32 |
| Complexity | 881.0 |
Chemical Identifiers
| CAS Number | 846064-01-5 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)N=CN(C3=N)CCCN4C=CN=C4)C5=CC=CC=C5)C(=O)C1)C |
| InChIKey | MGCHVSWLFMQMJQ-UHFFFAOYSA-N |
Product Overview
3-[3-(1H-imidazol-1-yl)propyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one (CAS 846064-01-5), with molecular formula C25H27N5O2 and molecular weight 429.22 g/mol. IUPAC: 3-(3-imidazol-1-ylpropyl)-4-imino-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one.
Chemical Property Profile of 3-[3-(1H-imidazol-1-yl)propyl]-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-[3-(1H-imidazol-1-yl)propyl]-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 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(1H-imidazol-1-yl)propyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(1H-imidazol-1-yl)propyl]-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-[3-(1H-imidazol-1-yl)propyl]-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 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-[3-(1H-imidazol-1-yl)propyl]-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-[3-(1H-imidazol-1-yl)propyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is 846064-01-5.
What is the molecular formula of 3-[3-(1H-imidazol-1-yl)propyl]-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-[3-(1H-imidazol-1-yl)propyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is C25H27N5O2.
What is the molecular weight of 3-[3-(1H-imidazol-1-yl)propyl]-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-[3-(1H-imidazol-1-yl)propyl]-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is 429.22 g/mol.
Where can I buy 3-[3-(1H-imidazol-1-yl)propyl]-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-[3-(1H-imidazol-1-yl)propyl]-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-[3-(1H-imidazol-1-yl)propyl]-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-[3-(1H-imidazol-1-yl)propyl]-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.