(Carbamoylamino) benzoate
TL;DR: (Carbamoylamino) benzoate (CAS 108129-49-3) 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.
(carbamoylamino) benzoate
Also Known As: ureido benzoate, Harnstoffbenzoat, (carbamoylamino) benzoate, carbamoylamino benzoate, 1-(benzoyloxy)urea
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 108129-49-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)ONC(=O)N |
| InChIKey | VDYZDHTZJQGPRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Carbamoylamino) benzoate (CAS 108129-49-3), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: (carbamoylamino) benzoate.
Chemical Property Profile of (Carbamoylamino) benzoate
Property Insights of (Carbamoylamino) benzoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Carbamoylamino) benzoate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Carbamoylamino) benzoate. Following Lipinski's Rule of Five, (Carbamoylamino) benzoate has 2 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 (Carbamoylamino) benzoate?
The CAS number of (Carbamoylamino) benzoate is 108129-49-3.
What is the molecular formula of (Carbamoylamino) benzoate?
The molecular formula of (Carbamoylamino) benzoate is C8H8N2O3.
What is the molecular weight of (Carbamoylamino) benzoate?
The molecular weight of (Carbamoylamino) benzoate is 180.05 g/mol.
Where can I buy (Carbamoylamino) benzoate?
You can request a quote for (Carbamoylamino) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Carbamoylamino) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Carbamoylamino) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.