A4082/0174006
TL;DR: A4082/0174006 (CAS 879588-94-0) is a chemical compound with molecular formula C20H18N4O5 and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-methoxyphenyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: A4082/0174006, 6-(2-methoxyphenyl)-1-methyl-4-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(2-methoxyphenyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(2-METHOXYPHENYL)-1-METHYL-4-(3-NITROPHENYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONE
| Molecular Formula | C20H18N4O5 |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 2.6004 |
| Topological Polar Surface Area | 105.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.12772 |
| Heavy Atoms | 29 |
| Complexity | 1064.342 |
Chemical Identifiers
| CAS Number | 879588-94-0 |
|---|---|
| SMILES | CN1C2=C(C(NC1=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C2)C4=CC=CC=C4OC |
Product Overview
A4082/0174006 (CAS 879588-94-0), with molecular formula C20H18N4O5 and molecular weight 394.13 g/mol. IUPAC: 6-(2-methoxyphenyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of A4082/0174006
Property Insights of A4082/0174006
The XLogP value of 2.6004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4082/0174006. The TPSA of 105.02 Ų falls within the moderate polarity range, balancing permeability and solubility for A4082/0174006. Following Lipinski's Rule of Five, A4082/0174006 has 1 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 A4082/0174006?
The CAS number of A4082/0174006 is 879588-94-0.
What is the molecular formula of A4082/0174006?
The molecular formula of A4082/0174006 is C20H18N4O5.
What is the molecular weight of A4082/0174006?
The molecular weight of A4082/0174006 is 394.13 g/mol.
Where can I buy A4082/0174006?
You can request a quote for A4082/0174006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4082/0174006?
Yes, KEHONG BIO provides custom synthesis services for A4082/0174006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.