![2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid structure](/static/products/2933/29338-10-1.webp)
2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid
TL;DR: 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid (CAS 29338-10-1) is a chemical compound with molecular formula C31H45N3O9S4 and molecular weight 731.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid
Also Known As: 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid, 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid, 2-hexadecylsulfonyl-5-[[(E)-(3-methyl-5-sulfo-1,3-benzothiaz
| Molecular Formula | C31H45N3O9S4 |
|---|---|
| Molecular Weight | 731.20 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 731.20386 |
| Heavy Atoms | 47 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 29338-10-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)NN=C2N(C3=C(S2)C=CC(=C3)S(=O)(=O)O)C)C(=O)O |
| InChIKey | ACLJLSKRXVFLTA-UHFFFAOYSA-N |
Product Overview
2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid (CAS 29338-10-1), with molecular formula C31H45N3O9S4 and molecular weight 731.20 g/mol. IUPAC: 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid.
Chemical Property Profile of 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid
Property Insights of 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid
The XLogP value of 8.3 indicates that 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 238.0 Ų indicates high polarity, suggesting 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid?
The CAS number of 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid is 29338-10-1.
What is the molecular formula of 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid?
The molecular formula of 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid is C31H45N3O9S4.
What is the molecular weight of 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid?
The molecular weight of 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid is 731.20 g/mol.
Where can I buy 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid?
You can request a quote for 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.