A3958/0168645
TL;DR: A3958/0168645 (CAS 889970-86-9) is a chemical compound with molecular formula C19H16ClN3O2 and molecular weight 353.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: A3958/0168645, 6-(4-chlorophenyl)-1-methyl-4-phenyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(4-chlorophenyl)-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
| Molecular Formula | C19H16ClN3O2 |
|---|---|
| Molecular Weight | 353.09 g/mol |
| LogP | 3.337 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.0931 |
| Heavy Atoms | 25 |
| Complexity | 877.30206 |
Chemical Identifiers
| CAS Number | 889970-86-9 |
|---|---|
| SMILES | CN1C2=C(C(NC1=O)C3=CC=CC=C3)C(=O)N(C2)C4=CC=C(C=C4)Cl |
Product Overview
A3958/0168645 (CAS 889970-86-9), with molecular formula C19H16ClN3O2 and molecular weight 353.09 g/mol. IUPAC: 6-(4-chlorophenyl)-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of A3958/0168645
Property Insights of A3958/0168645
The XLogP value of 3.337 indicates that A3958/0168645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, A3958/0168645 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3958/0168645 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 A3958/0168645?
The CAS number of A3958/0168645 is 889970-86-9.
What is the molecular formula of A3958/0168645?
The molecular formula of A3958/0168645 is C19H16ClN3O2.
What is the molecular weight of A3958/0168645?
The molecular weight of A3958/0168645 is 353.09 g/mol.
Where can I buy A3958/0168645?
You can request a quote for A3958/0168645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3958/0168645?
Yes, KEHONG BIO provides custom synthesis services for A3958/0168645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.