A4044/0172469
TL;DR: A4044/0172469 (CAS 900014-68-8) is a chemical compound with molecular formula C23H21N3O5 and molecular weight 419.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(3,4-dihydroxyphenyl)-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: A4044/0172469, 10-(3,4-dihydroxyphenyl)-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-(3,4-dihydroxyphenyl)-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 | C23H21N3O5 |
|---|---|
| Molecular Weight | 419.15 g/mol |
| LogP | 2.2365 |
| Topological Polar Surface Area | 98.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.14813 |
| Heavy Atoms | 31 |
| Complexity | 1446.5765 |
Chemical Identifiers
| CAS Number | 900014-68-8 |
|---|---|
| SMILES | CN1C2=C3C(OCCN3C(=C2C(=O)N(C1=O)C)C4=CC=CC=C4)C5=CC(=C(C=C5)O)O |
Product Overview
A4044/0172469 (CAS 900014-68-8), with molecular formula C23H21N3O5 and molecular weight 419.15 g/mol. IUPAC: 13-(3,4-dihydroxyphenyl)-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 A4044/0172469
Property Insights of A4044/0172469
The XLogP value of 2.2365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4044/0172469. The TPSA of 98.62 Ų falls within the moderate polarity range, balancing permeability and solubility for A4044/0172469. Following Lipinski's Rule of Five, A4044/0172469 has 2 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 A4044/0172469?
The CAS number of A4044/0172469 is 900014-68-8.
What is the molecular formula of A4044/0172469?
The molecular formula of A4044/0172469 is C23H21N3O5.
What is the molecular weight of A4044/0172469?
The molecular weight of A4044/0172469 is 419.15 g/mol.
Where can I buy A4044/0172469?
You can request a quote for A4044/0172469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4044/0172469?
Yes, KEHONG BIO provides custom synthesis services for A4044/0172469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.