![4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one structure](/static/products/848/848918-33-2.png)
4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one
TL;DR: 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one (CAS 848918-33-2) is a chemical compound with molecular formula C24H29N3O3 and molecular weight 407.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3-(2-methylpropyl)-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
Also Known As: 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one, 4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3-(2-methylpropyl)-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one, 4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3-(2-methylpropyl)-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one
| Molecular Formula | C24H29N3O3 |
|---|---|
| Molecular Weight | 407.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.2209 |
| Heavy Atoms | 30 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 848918-33-2 |
|---|---|
| SMILES | CC(C)CN1C=NC2=C(C1=N)C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OC |
| InChIKey | RFDXFKMFQJSIIQ-UHFFFAOYSA-N |
Product Overview
4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one (CAS 848918-33-2), with molecular formula C24H29N3O3 and molecular weight 407.22 g/mol. IUPAC: 4-imino-5-(4-methoxyphenyl)-8,8-dimethyl-3-(2-methylpropyl)-7,9-dihydro-5H-chromeno[2,3-d]pyrimidin-6-one.
Chemical Property Profile of 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one
Property Insights of 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one
The XLogP value of 3.6 indicates that 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-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 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one. Following Lipinski's Rule of Five, 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-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 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one?
The CAS number of 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one is 848918-33-2.
What is the molecular formula of 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one?
The molecular formula of 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one is C24H29N3O3.
What is the molecular weight of 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one?
The molecular weight of 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one is 407.22 g/mol.
Where can I buy 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one?
You can request a quote for 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-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 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,8,9-tetrahydro-3H-chromeno[2,3-d]pyrimidin-6(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-imino-3-isobutyl-5-(4-methoxyphenyl)-8,8-dimethyl-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.