CAS 587005-22-9 - C17H12BrClN2O3S
TL;DR: CAS 587005-22-9 - C17H12BrClN2O3S (CAS 587005-22-9) is a chemical compound with molecular formula C17H12BrClN2O3S and molecular weight 437.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-3-chloro-1-benzothiophene-2-carboxamide
Also Known As: Benzo[b]thiophene-2-carboxylic acid, 3-chloro-, [(3-bromo-2-hydroxy-5-methoxyphenyl)methylene]hydrazide (9CI)
| Molecular Formula | C17H12BrClN2O3S |
|---|---|
| Molecular Weight | 437.94 g/mol |
| LogP | 4.7953 |
| Topological Polar Surface Area | 70.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.94406 |
| Heavy Atoms | 25 |
| Complexity | 987.4286 |
Chemical Identifiers
| CAS Number | 587005-22-9 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)Br)O)C=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
CAS 587005-22-9 - C17H12BrClN2O3S (CAS 587005-22-9), with molecular formula C17H12BrClN2O3S and molecular weight 437.94 g/mol. IUPAC: N-[(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of CAS 587005-22-9 - C17H12BrClN2O3S
Property Insights of CAS 587005-22-9 - C17H12BrClN2O3S
The XLogP value of 4.7953 indicates that CAS 587005-22-9 - C17H12BrClN2O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.92 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 587005-22-9 - C17H12BrClN2O3S. Following Lipinski's Rule of Five, CAS 587005-22-9 - C17H12BrClN2O3S has 2 hydrogen bond donor(s) and 5 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 587005-22-9 - C17H12BrClN2O3S?
The CAS number of CAS 587005-22-9 - C17H12BrClN2O3S is 587005-22-9.
What is the molecular formula of CAS 587005-22-9 - C17H12BrClN2O3S?
The molecular formula of CAS 587005-22-9 - C17H12BrClN2O3S is C17H12BrClN2O3S.
What is the molecular weight of CAS 587005-22-9 - C17H12BrClN2O3S?
The molecular weight of CAS 587005-22-9 - C17H12BrClN2O3S is 437.94 g/mol.
Where can I buy CAS 587005-22-9 - C17H12BrClN2O3S?
You can request a quote for CAS 587005-22-9 - C17H12BrClN2O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 587005-22-9 - C17H12BrClN2O3S?
Yes, KEHONG BIO provides custom synthesis services for CAS 587005-22-9 - C17H12BrClN2O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.