6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one
TL;DR: 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one (CAS 305863-70-1) is a chemical compound with molecular formula C12H10ClN7O3 and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)purin-2-one
Also Known As: 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)purin-2-one, 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one
| Molecular Formula | C12H10ClN7O3 |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 0.8511 |
| Topological Polar Surface Area | 147.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.05338 |
| Heavy Atoms | 23 |
| Complexity | 976.9684 |
Chemical Identifiers
| CAS Number | 305863-70-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C3=C(C(=NC2=O)N)N=C(N3CCl)N)[N+](=O)[O-] |
Product Overview
6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one (CAS 305863-70-1), with molecular formula C12H10ClN7O3 and molecular weight 335.05 g/mol. IUPAC: 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)purin-2-one.
Chemical Property Profile of 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one
Property Insights of 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one
The XLogP value of 0.8511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one. The TPSA of 147.89 Ų indicates high polarity, suggesting 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one has 2 hydrogen bond donor(s) and 7 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 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one?
The CAS number of 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one is 305863-70-1.
What is the molecular formula of 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one?
The molecular formula of 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one is C12H10ClN7O3.
What is the molecular weight of 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one?
The molecular weight of 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one is 335.05 g/mol.
Where can I buy 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one?
You can request a quote for 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-3,9-dihydro-2H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.