3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl-
TL;DR: 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl- (CAS 90101-66-9) is a chemical compound with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4,5-dinitronaphthalen-1-yl)-2-methylhexa-3,5-diyn-2-ol
Also Known As: AmbscL34/TU-071, 6-(4,5-dinitronaphthalen-1-yl)-2-methylhexa-3,5-diyn-2-ol, 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl-, 6-(4,5-dinitronaphthalen-1-yl)-2-methyl-hexa-3,5-diyn-2-ol
| Molecular Formula | C17H12N2O5 |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 2.782 |
| Topological Polar Surface Area | 106.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.07462 |
| Heavy Atoms | 24 |
| Complexity | 945.59454 |
Chemical Identifiers
| CAS Number | 90101-66-9 |
|---|---|
| SMILES | CC(C)(C#CC#CC1=C2C=CC=C(C2=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O |
Product Overview
3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl- (CAS 90101-66-9), with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol. IUPAC: 6-(4,5-dinitronaphthalen-1-yl)-2-methylhexa-3,5-diyn-2-ol.
Chemical Property Profile of 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl-
Property Insights of 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl-
The XLogP value of 2.782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl-. The TPSA of 106.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl-. Following Lipinski's Rule of Five, 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl- has 1 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 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl-?
The CAS number of 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl- is 90101-66-9.
What is the molecular formula of 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl-?
The molecular formula of 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl- is C17H12N2O5.
What is the molecular weight of 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl-?
The molecular weight of 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl- is 324.07 g/mol.
Where can I buy 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl-?
You can request a quote for 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Hexadiyn-2-ol, 6-(4,5-dinitro-1-naphthalenyl)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.