4-{(Carbamoylamino)iminomethyl}benzoic acid
TL;DR: 4-{(Carbamoylamino)iminomethyl}benzoic acid (CAS 387846-35-7) is a chemical compound with molecular formula C9H9N3O3 and molecular weight 207.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
Also Known As: 4-[(carbamoylhydrazinylidene)methyl]benzoic Acid, 4-{(carbamoylamino)iminomethyl}benzoic acid, 4-((2-carbamoylhydrazineylidene)methyl)benzoic acid, 4-[[(CARBAMOYLAMINO)IMINO]METHYL]BENZOICACID
| Molecular Formula | C9H9N3O3 |
|---|---|
| Molecular Weight | 207.06 g/mol |
| LogP | 0.387 |
| Topological Polar Surface Area | 104.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.06439 |
| Heavy Atoms | 15 |
| Complexity | 397.5685 |
Chemical Identifiers
| CAS Number | 387846-35-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NNC(=O)N)C(=O)O |
Product Overview
4-{(Carbamoylamino)iminomethyl}benzoic acid (CAS 387846-35-7), with molecular formula C9H9N3O3 and molecular weight 207.06 g/mol. IUPAC: 4-[(carbamoylhydrazinylidene)methyl]benzoic acid.
Chemical Property Profile of 4-{(Carbamoylamino)iminomethyl}benzoic acid
Property Insights of 4-{(Carbamoylamino)iminomethyl}benzoic acid
The XLogP value of 0.387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{(Carbamoylamino)iminomethyl}benzoic acid. The TPSA of 104.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{(Carbamoylamino)iminomethyl}benzoic acid. Following Lipinski's Rule of Five, 4-{(Carbamoylamino)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 4-{(Carbamoylamino)iminomethyl}benzoic acid?
The CAS number of 4-{(Carbamoylamino)iminomethyl}benzoic acid is 387846-35-7.
What is the molecular formula of 4-{(Carbamoylamino)iminomethyl}benzoic acid?
The molecular formula of 4-{(Carbamoylamino)iminomethyl}benzoic acid is C9H9N3O3.
What is the molecular weight of 4-{(Carbamoylamino)iminomethyl}benzoic acid?
The molecular weight of 4-{(Carbamoylamino)iminomethyl}benzoic acid is 207.06 g/mol.
Where can I buy 4-{(Carbamoylamino)iminomethyl}benzoic acid?
You can request a quote for 4-{(Carbamoylamino)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 4-{(Carbamoylamino)iminomethyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{(Carbamoylamino)iminomethyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.