4-(3-脒基胍基)苯甲酸
TL;DR: 4-(3-脒基胍基)苯甲酸 (CAS 22817-15-8) is a chemical compound with molecular formula C9H11N5O2 and molecular weight 221.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-脒基胍基)苯甲酸
4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoic acid
Also Known As: NCIStruc1_000808, NCIStruc2_000735, 1-(p-carboxyphenyl) biguanide, 4-(3-Carbamimidoylguanidino)benzoic acid, 4-(N'-Butyl-ureido)-salicylsaeure
| Molecular Formula | C9H11N5O2 |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.09128 |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 22817-15-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)N=C(N)N=C(N)N |
| InChIKey | SQVQYPFROZNYOG-UHFFFAOYSA-N |
Product Overview
4-(3-脒基胍基)苯甲酸 (CAS 22817-15-8), with molecular formula C9H11N5O2 and molecular weight 221.09 g/mol. IUPAC: 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoic acid.
Chemical Property Profile of 4-(3-脒基胍基)苯甲酸
Property Insights of 4-(3-脒基胍基)苯甲酸
The XLogP value of -0.6 indicates that 4-(3-脒基胍基)苯甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting 4-(3-脒基胍基)苯甲酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(3-脒基胍基)苯甲酸 has 4 hydrogen bond donor(s) and 3 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 4-(3-脒基胍基)苯甲酸?
The CAS number of 4-(3-脒基胍基)苯甲酸 is 22817-15-8.
What is the molecular formula of 4-(3-脒基胍基)苯甲酸?
The molecular formula of 4-(3-脒基胍基)苯甲酸 is C9H11N5O2.
What is the molecular weight of 4-(3-脒基胍基)苯甲酸?
The molecular weight of 4-(3-脒基胍基)苯甲酸 is 221.09 g/mol.
Where can I buy 4-(3-脒基胍基)苯甲酸?
You can request a quote for 4-(3-脒基胍基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-脒基胍基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-脒基胍基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.