![10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione structure](/static/products/879/879591-08-9.png)
10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione
TL;DR: 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione (CAS 879591-08-9) is a chemical compound with molecular formula C22H27N3O4 and molecular weight 397.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-methoxyphenyl)-3,5-dimethyl-13-(2-methylpropyl)-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione
Also Known As: 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione, 5-(4-methoxyphenyl)-1,3-dimethyl-10-(2-methylpropyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
| Molecular Formula | C22H27N3O4 |
|---|---|
| Molecular Weight | 397.20 g/mol |
| LogP | 2.8317 |
| Topological Polar Surface Area | 67.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.20016 |
| Heavy Atoms | 29 |
| Complexity | 1182.2085 |
Chemical Identifiers
| CAS Number | 879591-08-9 |
|---|---|
| SMILES | CC(C)CC1C2=C3C(=C(N2CCO1)C4=CC=C(C=C4)OC)C(=O)N(C(=O)N3C)C |
Product Overview
10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione (CAS 879591-08-9), with molecular formula C22H27N3O4 and molecular weight 397.20 g/mol. IUPAC: 8-(4-methoxyphenyl)-3,5-dimethyl-13-(2-methylpropyl)-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione.
Chemical Property Profile of 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione
Property Insights of 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione
The XLogP value of 2.8317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione. The TPSA of 67.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione. Following Lipinski's Rule of Five, 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione has 0 hydrogen bond donor(s) and 4 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 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione?
The CAS number of 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione is 879591-08-9.
What is the molecular formula of 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione?
The molecular formula of 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione is C22H27N3O4.
What is the molecular weight of 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione?
The molecular weight of 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione is 397.20 g/mol.
Where can I buy 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione?
You can request a quote for 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 10-isobutyl-5-(4-methoxyphenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.