A3980/0169530
TL;DR: A3980/0169530 (CAS 889976-45-8) is a chemical compound with molecular formula C19H15ClN4O4 and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chlorophenyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: A3980/0169530, 6-(3-chlorophenyl)-1-methyl-4-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(3-chlorophenyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(3-CHLOROPHENYL)-1-METHYL-4-(3-NITROPHENYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONE
| Molecular Formula | C19H15ClN4O4 |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 3.2452 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.0782 |
| Heavy Atoms | 28 |
| Complexity | 1051.7341 |
Chemical Identifiers
| CAS Number | 889976-45-8 |
|---|---|
| SMILES | CN1C2=C(C(NC1=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C2)C4=CC(=CC=C4)Cl |
Product Overview
A3980/0169530 (CAS 889976-45-8), with molecular formula C19H15ClN4O4 and molecular weight 398.08 g/mol. IUPAC: 6-(3-chlorophenyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of A3980/0169530
Property Insights of A3980/0169530
The XLogP value of 3.2452 indicates that A3980/0169530 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for A3980/0169530. Following Lipinski's Rule of Five, A3980/0169530 has 1 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 A3980/0169530?
The CAS number of A3980/0169530 is 889976-45-8.
What is the molecular formula of A3980/0169530?
The molecular formula of A3980/0169530 is C19H15ClN4O4.
What is the molecular weight of A3980/0169530?
The molecular weight of A3980/0169530 is 398.08 g/mol.
Where can I buy A3980/0169530?
You can request a quote for A3980/0169530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3980/0169530?
Yes, KEHONG BIO provides custom synthesis services for A3980/0169530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.