5-硝基萘-1-甲酰氯
TL;DR: 5-硝基萘-1-甲酰氯 (CAS 58185-69-6) is a chemical compound with molecular formula C11H6ClNO3 and molecular weight 235.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-硝基萘-1-甲酰氯
5-nitronaphthalene-1-carbonyl chloride
Also Known As: 5-nitronaphthalene-1-carbonyl chloride, 5-NITRO-1-NAPHTHOYL CHLORIDE, 5-nitro-1-naphthoic acid chloride, 5-Nitro-naphthalene-1-carbonyl chloride, BB 0243992
| Molecular Formula | C11H6ClNO3 |
|---|---|
| Molecular Weight | 235.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.00362 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 58185-69-6 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2[N+](=O)[O-])C(=C1)C(=O)Cl |
| InChIKey | SKOUMIMRECKBJZ-UHFFFAOYSA-N |
Product Overview
5-硝基萘-1-甲酰氯 (CAS 58185-69-6), with molecular formula C11H6ClNO3 and molecular weight 235.00 g/mol. IUPAC: 5-nitronaphthalene-1-carbonyl chloride.
Chemical Property Profile of 5-硝基萘-1-甲酰氯
Property Insights of 5-硝基萘-1-甲酰氯
The XLogP value of 3.3 indicates that 5-硝基萘-1-甲酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-硝基萘-1-甲酰氯. Following Lipinski's Rule of Five, 5-硝基萘-1-甲酰氯 has 0 hydrogen bond donor(s) and 3 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 5-硝基萘-1-甲酰氯?
The CAS number of 5-硝基萘-1-甲酰氯 is 58185-69-6.
What is the molecular formula of 5-硝基萘-1-甲酰氯?
The molecular formula of 5-硝基萘-1-甲酰氯 is C11H6ClNO3.
What is the molecular weight of 5-硝基萘-1-甲酰氯?
The molecular weight of 5-硝基萘-1-甲酰氯 is 235.00 g/mol.
Where can I buy 5-硝基萘-1-甲酰氯?
You can request a quote for 5-硝基萘-1-甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-硝基萘-1-甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 5-硝基萘-1-甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.