Sulfenamide
TL;DR: Sulfenamide (CAS 121459-89-0) is a chemical compound with molecular formula C17H18ClN3O2S and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,13-dimethoxy-4,6-dimethyl-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaene chloride
Also Known As: Sulfenamide, Omeprazole Impurity 60, 3,9-Dimethoxy-2,4-dimethyl-5H-benzo[4,5]imidazo[1,2-b]pyrido[1,2-d][1,2,4]thiadiazin-13-ium chloride, 5,13-dimethoxy-4,6-dimethyl-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaene;chloride, 3,9-Dimethoxy-2,4-dimethyl-5H-benzo[4,5]imidazo[1,2-b]pyrido[1,2-d][1,2,4]thiadiazin-13-iumchloride
| Molecular Formula | C17H18ClN3O2S |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | -0.03906 |
| Topological Polar Surface Area | 40.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.0808 |
| Heavy Atoms | 24 |
| Complexity | 939.46576 |
Chemical Identifiers
| CAS Number | 121459-89-0 |
|---|---|
| SMILES | CC1=C[N+]2=C(CSN3C2=NC4=C3C=C(C=C4)OC)C(=C1OC)C.[Cl-] |
Product Overview
Sulfenamide (CAS 121459-89-0), with molecular formula C17H18ClN3O2S and molecular weight 363.08 g/mol. IUPAC: 5,13-dimethoxy-4,6-dimethyl-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaene chloride.
Chemical Property Profile of Sulfenamide
Property Insights of Sulfenamide
The XLogP value of -0.03906 indicates that Sulfenamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.16 Ų, Sulfenamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulfenamide has 0 hydrogen bond donor(s) and 4 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 Sulfenamide?
The CAS number of Sulfenamide is 121459-89-0.
What is the molecular formula of Sulfenamide?
The molecular formula of Sulfenamide is C17H18ClN3O2S.
What is the molecular weight of Sulfenamide?
The molecular weight of Sulfenamide is 363.08 g/mol.
Where can I buy Sulfenamide?
You can request a quote for Sulfenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfenamide?
Yes, KEHONG BIO provides custom synthesis services for Sulfenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.