4- benzoate,methanesulfonicacid
TL;DR: 4- benzoate,methanesulfonicacid (CAS 84456-56-4) is a chemical compound with molecular formula C17H22N6O10S2 and molecular weight 534.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-carbamimidoyl-2-nitrophenyl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acid
Also Known As: 4- benzoate,methanesulfonicacid, 4-Amidino-2-nitrophenyl 4-guanidinobenzoate dimethanesulfonate, Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(aminoiminomethyl)-2-nitrophenyl ester, dimethanesulfonate, 5-(1-Fluoro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-amine, (4-carbamimidoyl-2-nitrophenyl) 4-(diaminomethylideneamino)benzoate,methanesulfonic acid
| Molecular Formula | C17H22N6O10S2 |
|---|---|
| Molecular Weight | 534.08 g/mol |
| LogP | 0.01097 |
| Topological Polar Surface Area | 292.45 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 534.08386 |
| Heavy Atoms | 35 |
| Complexity | 1273.6161 |
Chemical Identifiers
| CAS Number | 84456-56-4 |
|---|---|
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-])N=C(N)N |
Product Overview
4- benzoate,methanesulfonicacid (CAS 84456-56-4), with molecular formula C17H22N6O10S2 and molecular weight 534.08 g/mol. IUPAC: (4-carbamimidoyl-2-nitrophenyl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acid.
Chemical Property Profile of 4- benzoate,methanesulfonicacid
Property Insights of 4- benzoate,methanesulfonicacid
The XLogP value of 0.01097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4- benzoate,methanesulfonicacid. The TPSA of 292.45 Ų indicates high polarity, suggesting 4- benzoate,methanesulfonicacid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4- benzoate,methanesulfonicacid has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4- benzoate,methanesulfonicacid?
The CAS number of 4- benzoate,methanesulfonicacid is 84456-56-4.
What is the molecular formula of 4- benzoate,methanesulfonicacid?
The molecular formula of 4- benzoate,methanesulfonicacid is C17H22N6O10S2.
What is the molecular weight of 4- benzoate,methanesulfonicacid?
The molecular weight of 4- benzoate,methanesulfonicacid is 534.08 g/mol.
Where can I buy 4- benzoate,methanesulfonicacid?
You can request a quote for 4- benzoate,methanesulfonicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4- benzoate,methanesulfonicacid?
Yes, KEHONG BIO provides custom synthesis services for 4- benzoate,methanesulfonicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.