C17H16Cl2N4O6
TL;DR: C17H16Cl2N4O6 (CAS 370072-27-8) is a chemical compound with molecular formula C17H16Cl2N4O6 and molecular weight 442.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] N-pyridin-3-ylcarbamate
Also Known As: [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] N-pyridin-3-ylcarbamate|2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl pyridin-3-ylcarbamate|2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl pyridin-3-ylcarbamate
| Molecular Formula | C17H16Cl2N4O6 |
|---|---|
| Molecular Weight | 442.04 g/mol |
| LogP | 2.5604 |
| Topological Polar Surface Area | 143.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.04468 |
| Heavy Atoms | 29 |
| Complexity | 850.7614 |
Chemical Identifiers
| CAS Number | 370072-27-8 |
|---|---|
| SMILES | C1=CC(=CN=C1)NC(=O)OCC(C(C2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C(Cl)Cl |
Product Overview
C17H16Cl2N4O6 (CAS 370072-27-8), with molecular formula C17H16Cl2N4O6 and molecular weight 442.04 g/mol. IUPAC: [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] N-pyridin-3-ylcarbamate.
Chemical Property Profile of C17H16Cl2N4O6
Property Insights of C17H16Cl2N4O6
The XLogP value of 2.5604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H16Cl2N4O6. The TPSA of 143.69 Ų indicates high polarity, suggesting C17H16Cl2N4O6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C17H16Cl2N4O6 has 3 hydrogen bond donor(s) and 7 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 C17H16Cl2N4O6?
The CAS number of C17H16Cl2N4O6 is 370072-27-8.
What is the molecular formula of C17H16Cl2N4O6?
The molecular formula of C17H16Cl2N4O6 is C17H16Cl2N4O6.
What is the molecular weight of C17H16Cl2N4O6?
The molecular weight of C17H16Cl2N4O6 is 442.04 g/mol.
Where can I buy C17H16Cl2N4O6?
You can request a quote for C17H16Cl2N4O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H16Cl2N4O6?
Yes, KEHONG BIO provides custom synthesis services for C17H16Cl2N4O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.