C17H16BrN3O3
TL;DR: C17H16BrN3O3 (CAS 893783-37-4) is a chemical compound with molecular formula C17H16BrN3O3 and molecular weight 389.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-bromophenyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione
Also Known As: 5-(4-bromophenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione, 5-(4-bromophenyl)-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-bromophenyl)-1,3-dimethyl-8,10-dihydro-7H-pyrimido[1,2]pyrrolo[4,5-a][1,4]oxazine-2,4-dione
| Molecular Formula | C17H16BrN3O3 |
|---|---|
| Molecular Weight | 389.04 g/mol |
| LogP | 1.9984 |
| Topological Polar Surface Area | 58.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 389.0375 |
| Heavy Atoms | 24 |
| Complexity | 1073.8745 |
Chemical Identifiers
| CAS Number | 893783-37-4 |
|---|---|
| SMILES | CN1C2=C3COCCN3C(=C2C(=O)N(C1=O)C)C4=CC=C(C=C4)Br |
Product Overview
C17H16BrN3O3 (CAS 893783-37-4), with molecular formula C17H16BrN3O3 and molecular weight 389.04 g/mol. IUPAC: 8-(4-bromophenyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione.
Chemical Property Profile of C17H16BrN3O3
Property Insights of C17H16BrN3O3
The XLogP value of 1.9984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H16BrN3O3. With a topological polar surface area (TPSA) of 58.16 Ų, C17H16BrN3O3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H16BrN3O3 has 0 hydrogen bond donor(s) and 3 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 C17H16BrN3O3?
The CAS number of C17H16BrN3O3 is 893783-37-4.
What is the molecular formula of C17H16BrN3O3?
The molecular formula of C17H16BrN3O3 is C17H16BrN3O3.
What is the molecular weight of C17H16BrN3O3?
The molecular weight of C17H16BrN3O3 is 389.04 g/mol.
Where can I buy C17H16BrN3O3?
You can request a quote for C17H16BrN3O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H16BrN3O3?
Yes, KEHONG BIO provides custom synthesis services for C17H16BrN3O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.