A4064/0173159
TL;DR: A4064/0173159 (CAS 879578-58-2) is a chemical compound with molecular formula C24H21N3O5 and molecular weight 431.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(1,3-benzodioxol-5-yl)-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: A4064/0173159, 10-(1,3-benzodioxol-5-yl)-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, 10-(1,3-benzodioxol-5-yl)-1,3-dimethyl-5-phenyl-8,10-dihydro-7H-pyrimido[1,2]pyrrolo[4,5-a][1,4]oxazine-2,4-dione, 10-(benzo[d][1,3]dioxol-5-yl)-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 | C24H21N3O5 |
|---|---|
| Molecular Weight | 431.15 g/mol |
| LogP | 2.554 |
| Topological Polar Surface Area | 76.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.14813 |
| Heavy Atoms | 32 |
| Complexity | 1496.5763 |
Chemical Identifiers
| CAS Number | 879578-58-2 |
|---|---|
| SMILES | CN1C2=C3C(OCCN3C(=C2C(=O)N(C1=O)C)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6 |
Product Overview
A4064/0173159 (CAS 879578-58-2), with molecular formula C24H21N3O5 and molecular weight 431.15 g/mol. IUPAC: 13-(1,3-benzodioxol-5-yl)-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 A4064/0173159
Property Insights of A4064/0173159
The XLogP value of 2.554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4064/0173159. The TPSA of 76.62 Ų falls within the moderate polarity range, balancing permeability and solubility for A4064/0173159. Following Lipinski's Rule of Five, A4064/0173159 has 0 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 A4064/0173159?
The CAS number of A4064/0173159 is 879578-58-2.
What is the molecular formula of A4064/0173159?
The molecular formula of A4064/0173159 is C24H21N3O5.
What is the molecular weight of A4064/0173159?
The molecular weight of A4064/0173159 is 431.15 g/mol.
Where can I buy A4064/0173159?
You can request a quote for A4064/0173159 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4064/0173159?
Yes, KEHONG BIO provides custom synthesis services for A4064/0173159 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.