A4021/0171507
TL;DR: A4021/0171507 (CAS 899371-23-4) 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-(4-ethylphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: A4021/0171507, 4-(4-bromophenyl)-6-(4-ethylphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 4-(4-BROMOPHENYL)-6-(4-ETHYLPHENYL)-1-METHYL-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONE, 4-(4-bromophenyl)-6-(4-ethylphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
| Molecular Formula | C21H20BrN3O2 |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 4.0085 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.07388 |
| Heavy Atoms | 27 |
| Complexity | 934.904 |
Chemical Identifiers
| CAS Number | 899371-23-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2CC3=C(C2=O)C(NC(=O)N3C)C4=CC=C(C=C4)Br |
Product Overview
A4021/0171507 (CAS 899371-23-4), with molecular formula C21H20BrN3O2 and molecular weight 425.07 g/mol. IUPAC: 4-(4-bromophenyl)-6-(4-ethylphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of A4021/0171507
Property Insights of A4021/0171507
The XLogP value of 4.0085 indicates that A4021/0171507 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, A4021/0171507 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4021/0171507 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 A4021/0171507?
The CAS number of A4021/0171507 is 899371-23-4.
What is the molecular formula of A4021/0171507?
The molecular formula of A4021/0171507 is C21H20BrN3O2.
What is the molecular weight of A4021/0171507?
The molecular weight of A4021/0171507 is 425.07 g/mol.
Where can I buy A4021/0171507?
You can request a quote for A4021/0171507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4021/0171507?
Yes, KEHONG BIO provides custom synthesis services for A4021/0171507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.