A4030/0171784
TL;DR: A4030/0171784 (CAS 899367-05-6) is a chemical compound with molecular formula C17H17N3O3 and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-8-phenyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione
Also Known As: A4030/0171784, 1,3-dimethyl-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione, 1,3-dimethyl-5-phenyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione
| Molecular Formula | C17H17N3O3 |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 1.2359 |
| Topological Polar Surface Area | 58.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.12698 |
| Heavy Atoms | 23 |
| Complexity | 1025.3938 |
Chemical Identifiers
| CAS Number | 899367-05-6 |
|---|---|
| SMILES | CN1C2=C3COCCN3C(=C2C(=O)N(C1=O)C)C4=CC=CC=C4 |
Product Overview
A4030/0171784 (CAS 899367-05-6), with molecular formula C17H17N3O3 and molecular weight 311.13 g/mol. IUPAC: 3,5-dimethyl-8-phenyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione.
Chemical Property Profile of A4030/0171784
Property Insights of A4030/0171784
The XLogP value of 1.2359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4030/0171784. With a topological polar surface area (TPSA) of 58.16 Ų, A4030/0171784 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4030/0171784 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 A4030/0171784?
The CAS number of A4030/0171784 is 899367-05-6.
What is the molecular formula of A4030/0171784?
The molecular formula of A4030/0171784 is C17H17N3O3.
What is the molecular weight of A4030/0171784?
The molecular weight of A4030/0171784 is 311.13 g/mol.
Where can I buy A4030/0171784?
You can request a quote for A4030/0171784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4030/0171784?
Yes, KEHONG BIO provides custom synthesis services for A4030/0171784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.