A3957/0168621
TL;DR: A3957/0168621 (CAS 853084-00-1) is a chemical compound with molecular formula C16H19N3O2 and molecular weight 285.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-phenyl-6-propan-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: A3957/0168621, 1-methyl-4-phenyl-6-propan-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-ISOPROPYL-1-METHYL-4-PHENYL-3,4,6,7-TETRAHYDRO-1H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONE, 1-methyl-4-phenyl-6-(propan-2-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 1H-Pyrrolo[3,4-d]pyrimidine-2,5-dione, 3,4,6,7-tetrahydro-1-methyl-6-(1-methylethyl)-4-phenyl-
| Molecular Formula | C16H19N3O2 |
|---|---|
| Molecular Weight | 285.15 g/mol |
| LogP | 1.8874 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.14774 |
| Heavy Atoms | 21 |
| Complexity | 621.66907 |
Chemical Identifiers
| CAS Number | 853084-00-1 |
|---|---|
| SMILES | CC(C)N1CC2=C(C1=O)C(NC(=O)N2C)C3=CC=CC=C3 |
Product Overview
A3957/0168621 (CAS 853084-00-1), with molecular formula C16H19N3O2 and molecular weight 285.15 g/mol. IUPAC: 1-methyl-4-phenyl-6-propan-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of A3957/0168621
Property Insights of A3957/0168621
The XLogP value of 1.8874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3957/0168621. With a topological polar surface area (TPSA) of 52.65 Ų, A3957/0168621 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3957/0168621 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 A3957/0168621?
The CAS number of A3957/0168621 is 853084-00-1.
What is the molecular formula of A3957/0168621?
The molecular formula of A3957/0168621 is C16H19N3O2.
What is the molecular weight of A3957/0168621?
The molecular weight of A3957/0168621 is 285.15 g/mol.
Where can I buy A3957/0168621?
You can request a quote for A3957/0168621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3957/0168621?
Yes, KEHONG BIO provides custom synthesis services for A3957/0168621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.