A4021/0171503
TL;DR: A4021/0171503 (CAS 899371-19-8) is a chemical compound with molecular formula C21H20BrN3O3 and molecular weight 441.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-6-(4-ethoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: A4021/0171503, 4-(4-bromophenyl)-6-(4-ethoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 4-(4-bromophenyl)-6-(4-ethoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 4-(4-BROMOPHENYL)-6-(4-ETHOXYPHENYL)-1-METHYL-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONE
| Molecular Formula | C21H20BrN3O3 |
|---|---|
| Molecular Weight | 441.07 g/mol |
| LogP | 3.8448 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.0688 |
| Heavy Atoms | 28 |
| Complexity | 953.866 |
Chemical Identifiers
| CAS Number | 899371-19-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2CC3=C(C2=O)C(NC(=O)N3C)C4=CC=C(C=C4)Br |
Product Overview
A4021/0171503 (CAS 899371-19-8), with molecular formula C21H20BrN3O3 and molecular weight 441.07 g/mol. IUPAC: 4-(4-bromophenyl)-6-(4-ethoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of A4021/0171503
Property Insights of A4021/0171503
The XLogP value of 3.8448 indicates that A4021/0171503 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for A4021/0171503. Following Lipinski's Rule of Five, A4021/0171503 has 1 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 A4021/0171503?
The CAS number of A4021/0171503 is 899371-19-8.
What is the molecular formula of A4021/0171503?
The molecular formula of A4021/0171503 is C21H20BrN3O3.
What is the molecular weight of A4021/0171503?
The molecular weight of A4021/0171503 is 441.07 g/mol.
Where can I buy A4021/0171503?
You can request a quote for A4021/0171503 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4021/0171503?
Yes, KEHONG BIO provides custom synthesis services for A4021/0171503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.