尿刊酸
TL;DR: 尿刊酸 (CAS 104-98-3) is a chemical compound with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尿刊酸
3-(1H-imidazol-5-yl)prop-2-enoic acid
Also Known As: urocanic acid, cis-Urocanic acid, Urocanicacid, Urocaninic acid, e-urocanic acid
| Molecular Formula | C6H6N2O2 |
|---|---|
| Molecular Weight | 138.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.04292 |
| Heavy Atoms | 10 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 104-98-3 |
|---|---|
| SMILES | C1=C(NC=N1)C=CC(=O)O |
| InChIKey | LOIYMIARKYCTBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
尿刊酸 (CAS 104-98-3), with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol. IUPAC: 3-(1H-imidazol-5-yl)prop-2-enoic acid.
Chemical Property Profile of 尿刊酸
Property Insights of 尿刊酸
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 尿刊酸. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 尿刊酸. Following Lipinski's Rule of Five, 尿刊酸 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 尿刊酸?
The CAS number of 尿刊酸 is 104-98-3.
What is the molecular formula of 尿刊酸?
The molecular formula of 尿刊酸 is C6H6N2O2.
What is the molecular weight of 尿刊酸?
The molecular weight of 尿刊酸 is 138.04 g/mol.
Where can I buy 尿刊酸?
You can request a quote for 尿刊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 尿刊酸?
Yes, KEHONG BIO provides custom synthesis services for 尿刊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.