3-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl-
TL;DR: 3-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl- (CAS 90101-65-8) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,5-dinitronaphthalen-1-yl)-2-methylbut-3-yn-2-ol
Also Known As: AmbscL34/TU-063, 4-(4,5-dinitronaphthalen-1-yl)-2-methylbut-3-yn-2-ol, 3-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl-, 4-(4,5-dinitronaphthalen-1-yl)-2-methyl-but-3-yn-2-ol
| Molecular Formula | C15H12N2O5 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.7786 |
| Topological Polar Surface Area | 106.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.07462 |
| Heavy Atoms | 22 |
| Complexity | 820.35236 |
Chemical Identifiers
| CAS Number | 90101-65-8 |
|---|---|
| SMILES | CC(C)(C#CC1=C2C=CC=C(C2=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O |
Product Overview
3-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl- (CAS 90101-65-8), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: 4-(4,5-dinitronaphthalen-1-yl)-2-methylbut-3-yn-2-ol.
Chemical Property Profile of 3-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl-
Property Insights of 3-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl-
The XLogP value of 2.7786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyn-2-ol, 4-(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-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl-. Following Lipinski's Rule of Five, 3-Butyn-2-ol, 4-(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-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl-?
The CAS number of 3-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl- is 90101-65-8.
What is the molecular formula of 3-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl-?
The molecular formula of 3-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl- is C15H12N2O5.
What is the molecular weight of 3-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl-?
The molecular weight of 3-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl- is 300.07 g/mol.
Where can I buy 3-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl-?
You can request a quote for 3-Butyn-2-ol, 4-(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-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyn-2-ol, 4-(4,5-dinitro-1-naphthalenyl)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.