![3-[(Hydroxyamino)iminomethyl]benzoic acid structure](/static/products/199/199447-10-4.png)
3-[(Hydroxyamino)iminomethyl]benzoic acid
TL;DR: 3-[(Hydroxyamino)iminomethyl]benzoic acid (CAS 199447-10-4) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-N'-hydroxycarbamimidoyl]benzoic acid
Also Known As: ChemDiv2_003362, 3-[(hydroxyamino)iminomethyl]benzoic acid, 3-[(E)-N'-hydroxycarbamimidoyl]benzoic acid, 3-[(Z)-amino(hydroxyimino)methyl]benzoic acid
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 0.4793 |
| Topological Polar Surface Area | 95.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 360.1617 |
Chemical Identifiers
| CAS Number | 199447-10-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)/C(=N\O)/N |
Product Overview
3-[(Hydroxyamino)iminomethyl]benzoic acid (CAS 199447-10-4), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: 3-[(E)-N'-hydroxycarbamimidoyl]benzoic acid.
Chemical Property Profile of 3-[(Hydroxyamino)iminomethyl]benzoic acid
Property Insights of 3-[(Hydroxyamino)iminomethyl]benzoic acid
The XLogP value of 0.4793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Hydroxyamino)iminomethyl]benzoic acid. The TPSA of 95.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Hydroxyamino)iminomethyl]benzoic acid. Following Lipinski's Rule of Five, 3-[(Hydroxyamino)iminomethyl]benzoic acid has 3 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 3-[(Hydroxyamino)iminomethyl]benzoic acid?
The CAS number of 3-[(Hydroxyamino)iminomethyl]benzoic acid is 199447-10-4.
What is the molecular formula of 3-[(Hydroxyamino)iminomethyl]benzoic acid?
The molecular formula of 3-[(Hydroxyamino)iminomethyl]benzoic acid is C8H8N2O3.
What is the molecular weight of 3-[(Hydroxyamino)iminomethyl]benzoic acid?
The molecular weight of 3-[(Hydroxyamino)iminomethyl]benzoic acid is 180.05 g/mol.
Where can I buy 3-[(Hydroxyamino)iminomethyl]benzoic acid?
You can request a quote for 3-[(Hydroxyamino)iminomethyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Hydroxyamino)iminomethyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Hydroxyamino)iminomethyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.