CAS 585560-50-5 - C17H11Cl2N3O5S
TL;DR: CAS 585560-50-5 - C17H11Cl2N3O5S (CAS 585560-50-5) is a chemical compound with molecular formula C17H11Cl2N3O5S and molecular weight 438.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichloro-N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-1-benzothiophene-2-carboxamide
Also Known As: Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, [(2-hydroxy-5-methoxy-3-nitrophenyl)methylene]hydrazide (9CI)
| Molecular Formula | C17H11Cl2N3O5S |
|---|---|
| Molecular Weight | 438.98 g/mol |
| LogP | 4.5944 |
| Topological Polar Surface Area | 114.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.97964 |
| Heavy Atoms | 28 |
| Complexity | 1129.6686 |
Chemical Identifiers
| CAS Number | 585560-50-5 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)[N+](=O)[O-])O)C=NNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl |
Product Overview
CAS 585560-50-5 - C17H11Cl2N3O5S (CAS 585560-50-5), with molecular formula C17H11Cl2N3O5S and molecular weight 438.98 g/mol. IUPAC: 3,6-dichloro-N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of CAS 585560-50-5 - C17H11Cl2N3O5S
Property Insights of CAS 585560-50-5 - C17H11Cl2N3O5S
The XLogP value of 4.5944 indicates that CAS 585560-50-5 - C17H11Cl2N3O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.06 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 585560-50-5 - C17H11Cl2N3O5S. Following Lipinski's Rule of Five, CAS 585560-50-5 - C17H11Cl2N3O5S has 2 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 CAS 585560-50-5 - C17H11Cl2N3O5S?
The CAS number of CAS 585560-50-5 - C17H11Cl2N3O5S is 585560-50-5.
What is the molecular formula of CAS 585560-50-5 - C17H11Cl2N3O5S?
The molecular formula of CAS 585560-50-5 - C17H11Cl2N3O5S is C17H11Cl2N3O5S.
What is the molecular weight of CAS 585560-50-5 - C17H11Cl2N3O5S?
The molecular weight of CAS 585560-50-5 - C17H11Cl2N3O5S is 438.98 g/mol.
Where can I buy CAS 585560-50-5 - C17H11Cl2N3O5S?
You can request a quote for CAS 585560-50-5 - C17H11Cl2N3O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 585560-50-5 - C17H11Cl2N3O5S?
Yes, KEHONG BIO provides custom synthesis services for CAS 585560-50-5 - C17H11Cl2N3O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.