Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)
TL;DR: Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt) (CAS 111910-28-2) is a chemical compound with molecular formula C15H16ClN3O6S and molecular weight 401.04483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-chloro-5-hydroxyphenyl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acid
Also Known As: Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt), (3-chloro-5-hydroxy-phenyl) 4-(diaminomethylideneamino)benzoate; Methanesulfonic Acid, (3-chloro-5-hydroxyphenyl) 4-(diaminomethylideneamino)benzoate; methanesulfonic acid, Methanesulfonic acid--3-chloro-5-hydroxyphenyl 4-[(diaminomethylidene)amino]benzoate (1/1)
Technical Specifications
| Molecular Formula | C15H16ClN3O6S |
| Molecular Weight | 401.04483 g/mol |
| XLogP | 1.6737 |
| Topological Polar Surface Area (TPSA) | 174.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.04483 Da |
| Heavy Atoms | 26 |
| Complexity | 485.0 |
| SMILES | CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC(=CC(=C2)O)Cl)N=C(N)N |
| InChIKey | AZLUQZFCMSSYLP-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)
Property Insights of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)
The XLogP value of 1.6737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt). The TPSA of 174.0 Ų indicates high polarity, suggesting Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt) has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)?
The CAS number of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt) is 111910-28-2.
What is the molecular formula of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)?
The molecular formula of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt) is C15H16ClN3O6S.
What is the molecular weight of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)?
The molecular weight of Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt) is 401.04483 g/mol.
Where can I buy Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)?
You can request a quote for Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt)?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-((aminoiminomethyl)amino)-, 3-chloro-5-hydroxyphenyl ester, monomethanesulfonate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.