脲基甲酸
TL;DR: 脲基甲酸 (CAS 51963-79-2) is a chemical compound with molecular formula C2H4N2O3 and molecular weight 104.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脲基甲酸
carbamoylcarbamic acid
Also Known As: Allophanic acid, Allophanate, carbamoylcarbamic acid, allophanicacid, Allophansaeure
| Molecular Formula | C2H4N2O3 |
|---|---|
| Molecular Weight | 104.02 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.022194 |
| Heavy Atoms | 7 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 51963-79-2 |
|---|---|
| SMILES | C(=O)(N)NC(=O)O |
| InChIKey | AVWRKZWQTYIKIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
脲基甲酸 (CAS 51963-79-2), with molecular formula C2H4N2O3 and molecular weight 104.02 g/mol. IUPAC: carbamoylcarbamic acid.
Chemical Property Profile of 脲基甲酸
Property Insights of 脲基甲酸
The XLogP value of -0.1 indicates that 脲基甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 脲基甲酸. Following Lipinski's Rule of Five, 脲基甲酸 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 脲基甲酸?
The CAS number of 脲基甲酸 is 51963-79-2.
What is the molecular formula of 脲基甲酸?
The molecular formula of 脲基甲酸 is C2H4N2O3.
What is the molecular weight of 脲基甲酸?
The molecular weight of 脲基甲酸 is 104.02 g/mol.
Where can I buy 脲基甲酸?
You can request a quote for 脲基甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脲基甲酸?
Yes, KEHONG BIO provides custom synthesis services for 脲基甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.