Netobimin
TL;DR: Netobimin (CAS 88255-01-0) is a chemical compound with molecular formula C14H20N4O7S2 and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(methoxycarbonylamino)-(2-nitro-5-propylsulfanylanilino)methylidene]amino]ethanesulfonic acid
Also Known As: Netobimin, Netobimine, Netobimina, Hapasil, tobatin
| Molecular Formula | C14H20N4O7S2 |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 420.07733 |
| Heavy Atoms | 27 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 88255-01-0 |
|---|---|
| SMILES | CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=NCCS(=O)(=O)O)NC(=O)OC |
| InChIKey | WCBVUETZRWGIJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Netobimin (CAS 88255-01-0), with molecular formula C14H20N4O7S2 and molecular weight 420.08 g/mol. IUPAC: 2-[[(methoxycarbonylamino)-(2-nitro-5-propylsulfanylanilino)methylidene]amino]ethanesulfonic acid.
Chemical Property Profile of Netobimin
Property Insights of Netobimin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Netobimin. The TPSA of 197.0 Ų indicates high polarity, suggesting Netobimin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Netobimin has 3 hydrogen bond donor(s) and 9 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 Netobimin?
The CAS number of Netobimin is 88255-01-0.
What is the molecular formula of Netobimin?
The molecular formula of Netobimin is C14H20N4O7S2.
What is the molecular weight of Netobimin?
The molecular weight of Netobimin is 420.08 g/mol.
Where can I buy Netobimin?
You can request a quote for Netobimin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Netobimin?
Yes, KEHONG BIO provides custom synthesis services for Netobimin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.