Octenidine Saccharin
TL;DR: Octenidine Saccharin (CAS 86767-75-1) is a chemical compound with molecular formula C50H72N6O6S2 and molecular weight 916.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1,1-dioxo-1,2-benzothiazol-3-one);N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine
Also Known As: Octenidine saccharin, octenidine disaccharin, Octenidine saccharin [USAN], Win 41,464-6, Octenidine saccharin (USAN)
| Molecular Formula | C50H72N6O6S2 |
|---|---|
| Molecular Weight | 916.50 g/mol |
| LogP | 9.8704 |
| Topological Polar Surface Area | 161.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 25 |
| Exact Mass | 916.4955 |
| Heavy Atoms | 64 |
| Complexity | 2183.4553 |
Chemical Identifiers
| CAS Number | 86767-75-1 |
|---|---|
| SMILES | CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2.C1=CC=C2C(=C1)C(=O)NS2(=O)=O.C1=CC=C2C(=C1)C(=O)NS2(=O)=O |
Product Overview
Octenidine Saccharin (CAS 86767-75-1), with molecular formula C50H72N6O6S2 and molecular weight 916.50 g/mol. IUPAC: bis(1,1-dioxo-1,2-benzothiazol-3-one);N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine.
Chemical Property Profile of Octenidine Saccharin
Property Insights of Octenidine Saccharin
The XLogP value of 9.8704 indicates that Octenidine Saccharin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.06 Ų indicates high polarity, suggesting Octenidine Saccharin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Octenidine Saccharin has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octenidine Saccharin?
The CAS number of Octenidine Saccharin is 86767-75-1.
What is the molecular formula of Octenidine Saccharin?
The molecular formula of Octenidine Saccharin is C50H72N6O6S2.
What is the molecular weight of Octenidine Saccharin?
The molecular weight of Octenidine Saccharin is 916.50 g/mol.
Where can I buy Octenidine Saccharin?
You can request a quote for Octenidine Saccharin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octenidine Saccharin?
Yes, KEHONG BIO provides custom synthesis services for Octenidine Saccharin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.