A4082/0174003
TL;DR: A4082/0174003 (CAS 893765-06-5) is a chemical compound with molecular formula C19H15BrClN3O2 and molecular weight 431.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-6-(4-chlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: A4082/0174003, 4-(4-bromophenyl)-6-(4-chlorophenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 4-(4-bromophenyl)-6-(4-chlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 4-(4-BROMOPHENYL)-6-(4-CHLOROPHENYL)-1-METHYL-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONE
| Molecular Formula | C19H15BrClN3O2 |
|---|---|
| Molecular Weight | 431.00 g/mol |
| LogP | 4.0995 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.00363 |
| Heavy Atoms | 26 |
| Complexity | 924.80536 |
Chemical Identifiers
| CAS Number | 893765-06-5 |
|---|---|
| SMILES | CN1C2=C(C(NC1=O)C3=CC=C(C=C3)Br)C(=O)N(C2)C4=CC=C(C=C4)Cl |
Product Overview
A4082/0174003 (CAS 893765-06-5), with molecular formula C19H15BrClN3O2 and molecular weight 431.00 g/mol. IUPAC: 4-(4-bromophenyl)-6-(4-chlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of A4082/0174003
Property Insights of A4082/0174003
The XLogP value of 4.0995 indicates that A4082/0174003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, A4082/0174003 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4082/0174003 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 A4082/0174003?
The CAS number of A4082/0174003 is 893765-06-5.
What is the molecular formula of A4082/0174003?
The molecular formula of A4082/0174003 is C19H15BrClN3O2.
What is the molecular weight of A4082/0174003?
The molecular weight of A4082/0174003 is 431.00 g/mol.
Where can I buy A4082/0174003?
You can request a quote for A4082/0174003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4082/0174003?
Yes, KEHONG BIO provides custom synthesis services for A4082/0174003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.