C16H13Cl2N3O5
TL;DR: C16H13Cl2N3O5 (CAS 578720-76-0) is a chemical compound with molecular formula C16H13Cl2N3O5 and molecular weight 397.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] 4-methoxy-3-nitrobenzoate
Also Known As: (1Z)-2-(3,4-dichlorophenyl)-N'-{[(4-methoxy-3-nitrophenyl)carbonyl]oxy}ethanimidamide, (Z)-2-(3,4-dichlorophenyl)-N'-((4-methoxy-3-nitrobenzoyl)oxy)acetimidamide
| Molecular Formula | C16H13Cl2N3O5 |
|---|---|
| Molecular Weight | 397.02 g/mol |
| LogP | 3.5819 |
| Topological Polar Surface Area | 117.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.02322 |
| Heavy Atoms | 26 |
| Complexity | 886.1841 |
Chemical Identifiers
| CAS Number | 578720-76-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O/N=C(/CC2=CC(=C(C=C2)Cl)Cl)\N)[N+](=O)[O-] |
Product Overview
C16H13Cl2N3O5 (CAS 578720-76-0), with molecular formula C16H13Cl2N3O5 and molecular weight 397.02 g/mol. IUPAC: [(Z)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] 4-methoxy-3-nitrobenzoate.
Chemical Property Profile of C16H13Cl2N3O5
Property Insights of C16H13Cl2N3O5
The XLogP value of 3.5819 indicates that C16H13Cl2N3O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.05 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H13Cl2N3O5. Following Lipinski's Rule of Five, C16H13Cl2N3O5 has 1 hydrogen bond donor(s) and 6 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 C16H13Cl2N3O5?
The CAS number of C16H13Cl2N3O5 is 578720-76-0.
What is the molecular formula of C16H13Cl2N3O5?
The molecular formula of C16H13Cl2N3O5 is C16H13Cl2N3O5.
What is the molecular weight of C16H13Cl2N3O5?
The molecular weight of C16H13Cl2N3O5 is 397.02 g/mol.
Where can I buy C16H13Cl2N3O5?
You can request a quote for C16H13Cl2N3O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H13Cl2N3O5?
Yes, KEHONG BIO provides custom synthesis services for C16H13Cl2N3O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.