A3980/0169527
TL;DR: A3980/0169527 (CAS 889976-26-5) is a chemical compound with molecular formula C19H16N4O5 and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-hydroxyphenyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: A3980/0169527, 6-(4-hydroxyphenyl)-1-methyl-4-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(4-hydroxyphenyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(4-HYDROXYPHENYL)-1-METHYL-4-(3-NITROPHENYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONE
| Molecular Formula | C19H16N4O5 |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 2.2974 |
| Topological Polar Surface Area | 116.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.11206 |
| Heavy Atoms | 28 |
| Complexity | 1030.8744 |
Chemical Identifiers
| CAS Number | 889976-26-5 |
|---|---|
| SMILES | CN1C2=C(C(NC1=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C2)C4=CC=C(C=C4)O |
Product Overview
A3980/0169527 (CAS 889976-26-5), with molecular formula C19H16N4O5 and molecular weight 380.11 g/mol. IUPAC: 6-(4-hydroxyphenyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of A3980/0169527
Property Insights of A3980/0169527
The XLogP value of 2.2974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3980/0169527. The TPSA of 116.02 Ų falls within the moderate polarity range, balancing permeability and solubility for A3980/0169527. Following Lipinski's Rule of Five, A3980/0169527 has 2 hydrogen bond donor(s) and 5 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 A3980/0169527?
The CAS number of A3980/0169527 is 889976-26-5.
What is the molecular formula of A3980/0169527?
The molecular formula of A3980/0169527 is C19H16N4O5.
What is the molecular weight of A3980/0169527?
The molecular weight of A3980/0169527 is 380.11 g/mol.
Where can I buy A3980/0169527?
You can request a quote for A3980/0169527 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3980/0169527?
Yes, KEHONG BIO provides custom synthesis services for A3980/0169527 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.