A3879/0164860
TL;DR: A3879/0164860 (CAS 728035-87-8) is a chemical compound with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid
Also Known As: A3879/0164860, 4-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid, 4-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid, 4-(4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H,5H,7H)-yl)benzoic acid
| Molecular Formula | C21H19N3O5 |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 2.3904 |
| Topological Polar Surface Area | 99.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.13248 |
| Heavy Atoms | 29 |
| Complexity | 1027.287 |
Chemical Identifiers
| CAS Number | 728035-87-8 |
|---|---|
| SMILES | CN1C2=C(C(NC1=O)C3=CC=C(C=C3)OC)C(=O)N(C2)C4=CC=C(C=C4)C(=O)O |
Product Overview
A3879/0164860 (CAS 728035-87-8), with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol. IUPAC: 4-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid.
Chemical Property Profile of A3879/0164860
Property Insights of A3879/0164860
The XLogP value of 2.3904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3879/0164860. The TPSA of 99.18 Ų falls within the moderate polarity range, balancing permeability and solubility for A3879/0164860. Following Lipinski's Rule of Five, A3879/0164860 has 2 hydrogen bond donor(s) and 4 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 A3879/0164860?
The CAS number of A3879/0164860 is 728035-87-8.
What is the molecular formula of A3879/0164860?
The molecular formula of A3879/0164860 is C21H19N3O5.
What is the molecular weight of A3879/0164860?
The molecular weight of A3879/0164860 is 393.13 g/mol.
Where can I buy A3879/0164860?
You can request a quote for A3879/0164860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3879/0164860?
Yes, KEHONG BIO provides custom synthesis services for A3879/0164860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.