U-104
TL;DR: U-104 (CAS 178606-66-1) is a chemical compound with molecular formula C13H12FN3O3S and molecular weight 309.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)urea
Also Known As: U-104, 4-(3-(4-fluorophenyl)ureido)benzenesulfonamide, 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)urea, 3n4b, CAIX Inhibitor SLC-0111
| Molecular Formula | C13H12FN3O3S |
|---|---|
| Molecular Weight | 309.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.05835 |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 178606-66-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F |
| InChIKey | YJQZNWPYLCNRLP-UHFFFAOYSA-N |
Product Overview
U-104 (CAS 178606-66-1), with molecular formula C13H12FN3O3S and molecular weight 309.06 g/mol. IUPAC: 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)urea.
Chemical Property Profile of U-104
Property Insights of U-104
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for U-104. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for U-104. Following Lipinski's Rule of Five, U-104 has 3 hydrogen bond donor(s) and 5 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 U-104?
The CAS number of U-104 is 178606-66-1.
What is the molecular formula of U-104?
The molecular formula of U-104 is C13H12FN3O3S.
What is the molecular weight of U-104?
The molecular weight of U-104 is 309.06 g/mol.
Where can I buy U-104?
You can request a quote for U-104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for U-104?
Yes, KEHONG BIO provides custom synthesis services for U-104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.