RefChem:870960
TL;DR: RefChem:870960 (CAS 30267-49-3) is a chemical compound with molecular formula C16H17N9O2 and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,4-N-dimethyl-13-nitro-6-N-propan-2-yl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene-4,6-diamine
Also Known As: Pyrimido[4',5':5,6][1,2,4]triazino[4,3-b]indazole-2,4-diamine, N2,N2-dimethyl-N4-(1-methylethyl)-8-nitro-, (3R)-4'-phenylspiro[2-benzofuran-3,2'-furan]-1,3'-dione, N4-isopropyl-N2,N2-dimethyl-8-nitropyrimido[4',5':5,6][1,2,4]triazino[4,3-b]indazole-2,4-diamine, Pyrimido(4',5':5,6)(1,2,4)triazino(4,3-b)indazole-2,4-diamine, N2,N2-dimethyl-N4-(1-methylethyl)-8-nitro-, (1r)-4'-phenyl-3h,3'h-spiro[2-benzofuran-1,2'-furan]-3,3'-dione
| Molecular Formula | C16H17N9O2 |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.1505 |
| Heavy Atoms | 27 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 30267-49-3 |
|---|---|
| SMILES | CC(C)NC1=C2C(=NC(=N1)N(C)C)N3C(=C4C=C(C=CC4=N3)[N+](=O)[O-])N=N2 |
| InChIKey | CJPNQUBNSDHCSV-UHFFFAOYSA-N |
Product Overview
RefChem:870960 (CAS 30267-49-3), with molecular formula C16H17N9O2 and molecular weight 367.15 g/mol. IUPAC: 4-N,4-N-dimethyl-13-nitro-6-N-propan-2-yl-1,3,5,8,9,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene-4,6-diamine.
Chemical Property Profile of RefChem:870960
Property Insights of RefChem:870960
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:870960. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:870960. Following Lipinski's Rule of Five, RefChem:870960 has 1 hydrogen bond donor(s) and 9 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 RefChem:870960?
The CAS number of RefChem:870960 is 30267-49-3.
What is the molecular formula of RefChem:870960?
The molecular formula of RefChem:870960 is C16H17N9O2.
What is the molecular weight of RefChem:870960?
The molecular weight of RefChem:870960 is 367.15 g/mol.
Where can I buy RefChem:870960?
You can request a quote for RefChem:870960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:870960?
Yes, KEHONG BIO provides custom synthesis services for RefChem:870960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.