A4082/0174004
TL;DR: A4082/0174004 (CAS 893765-09-8) is a chemical compound with molecular formula C16H18N4O5 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-hydroxypropyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: A4082/0174004, 6-(3-hydroxypropyl)-1-methyl-4-(3-nitrophenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(3-hydroxypropyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(3-HYDROXYPROPYL)-1-METHYL-4-(3-NITROPHENYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONE
| Molecular Formula | C16H18N4O5 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 0.7696 |
| Topological Polar Surface Area | 116.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.12772 |
| Heavy Atoms | 25 |
| Complexity | 775.5435 |
Chemical Identifiers
| CAS Number | 893765-09-8 |
|---|---|
| SMILES | CN1C2=C(C(NC1=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C2)CCCO |
Product Overview
A4082/0174004 (CAS 893765-09-8), with molecular formula C16H18N4O5 and molecular weight 346.13 g/mol. IUPAC: 6-(3-hydroxypropyl)-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of A4082/0174004
Property Insights of A4082/0174004
The XLogP value of 0.7696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4082/0174004. The TPSA of 116.02 Ų falls within the moderate polarity range, balancing permeability and solubility for A4082/0174004. Following Lipinski's Rule of Five, A4082/0174004 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 A4082/0174004?
The CAS number of A4082/0174004 is 893765-09-8.
What is the molecular formula of A4082/0174004?
The molecular formula of A4082/0174004 is C16H18N4O5.
What is the molecular weight of A4082/0174004?
The molecular weight of A4082/0174004 is 346.13 g/mol.
Where can I buy A4082/0174004?
You can request a quote for A4082/0174004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4082/0174004?
Yes, KEHONG BIO provides custom synthesis services for A4082/0174004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.