A4044/0172471
TL;DR: A4044/0172471 (CAS 879760-58-4) is a chemical compound with molecular formula C23H19ClFN3O3 and molecular weight 439.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-chlorophenyl)-13-(4-fluorophenyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione
Also Known As: A4044/0172471, 5-(4-chlorophenyl)-10-(4-fluorophenyl)-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-chlorophenyl)-10-(4-fluorophenyl)-1,3-dimethyl-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione
| Molecular Formula | C23H19ClFN3O3 |
|---|---|
| Molecular Weight | 439.11 g/mol |
| LogP | 3.6178 |
| Topological Polar Surface Area | 58.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 439.1099 |
| Heavy Atoms | 31 |
| Complexity | 1433.1813 |
Chemical Identifiers
| CAS Number | 879760-58-4 |
|---|---|
| SMILES | CN1C2=C3C(OCCN3C(=C2C(=O)N(C1=O)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F |
Product Overview
A4044/0172471 (CAS 879760-58-4), with molecular formula C23H19ClFN3O3 and molecular weight 439.11 g/mol. IUPAC: 8-(4-chlorophenyl)-13-(4-fluorophenyl)-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 A4044/0172471
Property Insights of A4044/0172471
The XLogP value of 3.6178 indicates that A4044/0172471 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.16 Ų, A4044/0172471 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4044/0172471 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 A4044/0172471?
The CAS number of A4044/0172471 is 879760-58-4.
What is the molecular formula of A4044/0172471?
The molecular formula of A4044/0172471 is C23H19ClFN3O3.
What is the molecular weight of A4044/0172471?
The molecular weight of A4044/0172471 is 439.11 g/mol.
Where can I buy A4044/0172471?
You can request a quote for A4044/0172471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4044/0172471?
Yes, KEHONG BIO provides custom synthesis services for A4044/0172471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.