![3-(3-hydroxypropyl)-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/846/846582-23-8.png)
3-(3-hydroxypropyl)-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-hydroxypropyl)-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one (CAS 846582-23-8) is a chemical compound with molecular formula C22H25N3O3 and molecular weight 379.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-hydroxypropyl)-4-imino-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
Also Known As: 3-(3-hydroxypropyl)-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one, 3-(3-hydroxypropyl)-4-imino-8,8-dimethyl-5-phenyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one, 3-(3-hydroxypropyl)-4-imino-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
| Molecular Formula | C22H25N3O3 |
|---|---|
| Molecular Weight | 379.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 86.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.1896 |
| Heavy Atoms | 28 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 846582-23-8 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)N=CN(C3=N)CCCO)C4=CC=CC=C4)C(=O)C1)C |
| InChIKey | MBWCDLNTLZXHGA-UHFFFAOYSA-N |
Product Overview
3-(3-hydroxypropyl)-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one (CAS 846582-23-8), with molecular formula C22H25N3O3 and molecular weight 379.19 g/mol. IUPAC: 3-(3-hydroxypropyl)-4-imino-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one.
Chemical Property Profile of 3-(3-hydroxypropyl)-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-hydroxypropyl)-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 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-hydroxypropyl)-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 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-hydroxypropyl)-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-hydroxypropyl)-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one has 2 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-hydroxypropyl)-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-hydroxypropyl)-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is 846582-23-8.
What is the molecular formula of 3-(3-hydroxypropyl)-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-hydroxypropyl)-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is C22H25N3O3.
What is the molecular weight of 3-(3-hydroxypropyl)-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-hydroxypropyl)-4-imino-8,8-dimethyl-5-phenyl-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one is 379.19 g/mol.
Where can I buy 3-(3-hydroxypropyl)-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-hydroxypropyl)-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-hydroxypropyl)-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-hydroxypropyl)-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.