Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester
TL;DR: Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester (CAS 89035-73-4) is a chemical compound with molecular formula C20H25N3O3 and molecular weight 355.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hexyl-3-hydroxyphenyl) 4-(diaminomethylideneamino)benzoate
Also Known As: NIOSH/DH1421800, 3'-Hydroxy-4'-hexylphenyl 4-guanidinobenzoate, BENZOIC ACID, 4-((AMINOIMINOMETHYL)AMINO)-, 4-HEXYL-3-HYDROXYPHENYL ESTER, p-Guanidinobenzoic acid 4-hexyl-3-hydroxyphenyl ester, Benzoic acid, p-guanidino-, 4-hexyl-3-hydroxyphenyl ester
| Molecular Formula | C20H25N3O3 |
|---|---|
| Molecular Weight | 355.19 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 355.1896 |
| Heavy Atoms | 26 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 89035-73-4 |
|---|---|
| SMILES | CCCCCCC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N)O |
| InChIKey | XEIIETAXJGZDQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester (CAS 89035-73-4), with molecular formula C20H25N3O3 and molecular weight 355.19 g/mol. IUPAC: (4-hexyl-3-hydroxyphenyl) 4-(diaminomethylideneamino)benzoate.
Chemical Property Profile of Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester
Property Insights of Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester
The XLogP value of 4.4 indicates that Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester has 3 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 Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester?
The CAS number of Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester is 89035-73-4.
What is the molecular formula of Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester?
The molecular formula of Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester is C20H25N3O3.
What is the molecular weight of Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester?
The molecular weight of Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester is 355.19 g/mol.
Where can I buy Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester?
You can request a quote for Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.