A4021/0171505
TL;DR: A4021/0171505 (CAS 899371-21-2) is a chemical compound with molecular formula C21H20BrN3O2 and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-6-(3,4-dimethylphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: A4021/0171505, 4-(4-bromophenyl)-6-(3,4-dimethylphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 4-(4-BROMOPHENYL)-6-(3,4-DIMETHYLPHENYL)-1-METHYL-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONE, 4-(4-bromophenyl)-6-(3,4-dimethylphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
| Molecular Formula | C21H20BrN3O2 |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 4.06294 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 425.07388 |
| Heavy Atoms | 27 |
| Complexity | 981.42126 |
Chemical Identifiers
| CAS Number | 899371-21-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CC3=C(C2=O)C(NC(=O)N3C)C4=CC=C(C=C4)Br)C |
Product Overview
A4021/0171505 (CAS 899371-21-2), with molecular formula C21H20BrN3O2 and molecular weight 425.07 g/mol. IUPAC: 4-(4-bromophenyl)-6-(3,4-dimethylphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of A4021/0171505
Property Insights of A4021/0171505
The XLogP value of 4.06294 indicates that A4021/0171505 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, A4021/0171505 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4021/0171505 has 1 hydrogen bond donor(s) and 2 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 A4021/0171505?
The CAS number of A4021/0171505 is 899371-21-2.
What is the molecular formula of A4021/0171505?
The molecular formula of A4021/0171505 is C21H20BrN3O2.
What is the molecular weight of A4021/0171505?
The molecular weight of A4021/0171505 is 425.07 g/mol.
Where can I buy A4021/0171505?
You can request a quote for A4021/0171505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4021/0171505?
Yes, KEHONG BIO provides custom synthesis services for A4021/0171505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.