A3846/0163369
TL;DR: A3846/0163369 (CAS 728016-41-9) is a chemical compound with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid
Also Known As: A3846/0163369, 3-(1-methyl-2,5-dioxo-4-phenyl-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid, 3-(1-methyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid, 3-(1-methyl-2,5-dioxo-4-phenyl-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H,5H,7H)-yl)benzoic acid
| Molecular Formula | C20H17N3O4 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 2.3818 |
| Topological Polar Surface Area | 89.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.12192 |
| Heavy Atoms | 27 |
| Complexity | 983.73114 |
Chemical Identifiers
| CAS Number | 728016-41-9 |
|---|---|
| SMILES | CN1C2=C(C(NC1=O)C3=CC=CC=C3)C(=O)N(C2)C4=CC=CC(=C4)C(=O)O |
Product Overview
A3846/0163369 (CAS 728016-41-9), with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol. IUPAC: 3-(1-methyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl)benzoic acid.
Chemical Property Profile of A3846/0163369
Property Insights of A3846/0163369
The XLogP value of 2.3818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3846/0163369. The TPSA of 89.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A3846/0163369. Following Lipinski's Rule of Five, A3846/0163369 has 2 hydrogen bond donor(s) and 3 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 A3846/0163369?
The CAS number of A3846/0163369 is 728016-41-9.
What is the molecular formula of A3846/0163369?
The molecular formula of A3846/0163369 is C20H17N3O4.
What is the molecular weight of A3846/0163369?
The molecular weight of A3846/0163369 is 363.12 g/mol.
Where can I buy A3846/0163369?
You can request a quote for A3846/0163369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3846/0163369?
Yes, KEHONG BIO provides custom synthesis services for A3846/0163369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.