4'-Amino-5'-nitrobenzo-15-crown-5
TL;DR: 4'-Amino-5'-nitrobenzo-15-crown-5 (CAS 77001-50-4) is a chemical compound with molecular formula C14H20N2O7 and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine
Also Known As: 4'-Amino-5'-nitrobenzo-15-crown-5, 2,3-Difluorobenzotrifluoride, 4,-Amino-5'-nitrobenzo-15-crown-5, 4-AMINO-5-NITROBENZO-15-CROWN-5, 4'-Amino-5'-nitrobenzo-15-crown-5, 97%
| Molecular Formula | C14H20N2O7 |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 0.998 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.12704 |
| Heavy Atoms | 23 |
| Complexity | 524.0924 |
Chemical Identifiers
| CAS Number | 77001-50-4 |
|---|---|
| SMILES | C1COCCOC2=C(C=C(C(=C2)N)[N+](=O)[O-])OCCOCCO1 |
Product Overview
4'-Amino-5'-nitrobenzo-15-crown-5 (CAS 77001-50-4), with molecular formula C14H20N2O7 and molecular weight 328.13 g/mol. IUPAC: 18-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine.
Chemical Property Profile of 4'-Amino-5'-nitrobenzo-15-crown-5
Property Insights of 4'-Amino-5'-nitrobenzo-15-crown-5
The XLogP value of 0.998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Amino-5'-nitrobenzo-15-crown-5. The TPSA of 115.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Amino-5'-nitrobenzo-15-crown-5. Following Lipinski's Rule of Five, 4'-Amino-5'-nitrobenzo-15-crown-5 has 1 hydrogen bond donor(s) and 8 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 4'-Amino-5'-nitrobenzo-15-crown-5?
The CAS number of 4'-Amino-5'-nitrobenzo-15-crown-5 is 77001-50-4.
What is the molecular formula of 4'-Amino-5'-nitrobenzo-15-crown-5?
The molecular formula of 4'-Amino-5'-nitrobenzo-15-crown-5 is C14H20N2O7.
What is the molecular weight of 4'-Amino-5'-nitrobenzo-15-crown-5?
The molecular weight of 4'-Amino-5'-nitrobenzo-15-crown-5 is 328.13 g/mol.
Where can I buy 4'-Amino-5'-nitrobenzo-15-crown-5?
You can request a quote for 4'-Amino-5'-nitrobenzo-15-crown-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Amino-5'-nitrobenzo-15-crown-5?
Yes, KEHONG BIO provides custom synthesis services for 4'-Amino-5'-nitrobenzo-15-crown-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.