A4044/0172472
TL;DR: A4044/0172472 (CAS 879563-96-9) is a chemical compound with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-methoxyphenyl)-3,5-dimethyl-13-thiophen-2-yl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione
Also Known As: A4044/0172472, 5-(4-methoxyphenyl)-1,3-dimethyl-10-(2-thienyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione, 5-(4-methoxyphenyl)-1,3-dimethyl-10-(thiophen-2-yl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione, 5-(4-methoxyphenyl)-1,3-dimethyl-10-(thiophen-2-yl)-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione, 5-(4-methoxyphenyl)-1,3-dimethyl-10-thiophen-2-yl-8,10-dihydro-7H-pyrimido[1,2]pyrrolo[4,5-a][1,4]oxazine-2,4-dione
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 2.8954 |
| Topological Polar Surface Area | 67.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1361.1312 |
Chemical Identifiers
| CAS Number | 879563-96-9 |
|---|---|
| SMILES | CN1C2=C3C(OCCN3C(=C2C(=O)N(C1=O)C)C4=CC=C(C=C4)OC)C5=CC=CS5 |
Product Overview
A4044/0172472 (CAS 879563-96-9), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: 8-(4-methoxyphenyl)-3,5-dimethyl-13-thiophen-2-yl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione.
Chemical Property Profile of A4044/0172472
Property Insights of A4044/0172472
The XLogP value of 2.8954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4044/0172472. The TPSA of 67.39 Ų falls within the moderate polarity range, balancing permeability and solubility for A4044/0172472. Following Lipinski's Rule of Five, A4044/0172472 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 A4044/0172472?
The CAS number of A4044/0172472 is 879563-96-9.
What is the molecular formula of A4044/0172472?
The molecular formula of A4044/0172472 is C22H21N3O4S.
What is the molecular weight of A4044/0172472?
The molecular weight of A4044/0172472 is 423.13 g/mol.
Where can I buy A4044/0172472?
You can request a quote for A4044/0172472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4044/0172472?
Yes, KEHONG BIO provides custom synthesis services for A4044/0172472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.