Metoprolol Impurity B
TL;DR: Metoprolol Impurity B (CAS 5672-22-0) is a chemical compound with molecular formula C21H17N7O5S and molecular weight 479.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
Also Known As: Metoprolol Impurity B, N-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide, N-[[5-(2-METHOXY-5-NITRO-PHENYL)-2-FURYL]METHYLIDENEAMINO]-2-(1-PHENYLTETRAZOL-5-YL)SULFANYL-ACETAMIDE, N'-{[5-(2-Methoxy-5-nitrophenyl)furan-2-yl]methylidene}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetohydrazide
| Molecular Formula | C21H17N7O5S |
|---|---|
| Molecular Weight | 479.10 g/mol |
| LogP | 3.0815 |
| Topological Polar Surface Area | 150.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 479.1012 |
| Heavy Atoms | 34 |
| Complexity | 1336.303 |
Chemical Identifiers
| CAS Number | 5672-22-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=O)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
Metoprolol Impurity B (CAS 5672-22-0), with molecular formula C21H17N7O5S and molecular weight 479.10 g/mol. IUPAC: N-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
Chemical Property Profile of Metoprolol Impurity B
Property Insights of Metoprolol Impurity B
The XLogP value of 3.0815 indicates that Metoprolol Impurity B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.57 Ų indicates high polarity, suggesting Metoprolol Impurity B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Metoprolol Impurity B has 1 hydrogen bond donor(s) and 10 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 Metoprolol Impurity B?
The CAS number of Metoprolol Impurity B is 5672-22-0.
What is the molecular formula of Metoprolol Impurity B?
The molecular formula of Metoprolol Impurity B is C21H17N7O5S.
What is the molecular weight of Metoprolol Impurity B?
The molecular weight of Metoprolol Impurity B is 479.10 g/mol.
Where can I buy Metoprolol Impurity B?
You can request a quote for Metoprolol Impurity B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metoprolol Impurity B?
Yes, KEHONG BIO provides custom synthesis services for Metoprolol Impurity B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.