BAS 01175977
TL;DR: BAS 01175977 (CAS 314764-52-8) is a chemical compound with molecular formula C16H13FN4O2S3 and molecular weight 408.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
Also Known As: BAS 01175977, AN-329/40396886, 4-({[(4-fluorophenyl)amino]carbonothioyl}amino)-N-1,3-thiazol-2-ylbenzenesulfonamide, 1-(4-fluorophenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea, 4-[3-(4-Fluoro-phenyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide
| Molecular Formula | C16H13FN4O2S3 |
|---|---|
| Molecular Weight | 408.02 g/mol |
| LogP | 3.8919 |
| Topological Polar Surface Area | 83.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.01846 |
| Heavy Atoms | 26 |
| Complexity | 988.98883 |
Chemical Identifiers
| CAS Number | 314764-52-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)F |
Product Overview
BAS 01175977 (CAS 314764-52-8), with molecular formula C16H13FN4O2S3 and molecular weight 408.02 g/mol. IUPAC: 1-(4-fluorophenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea.
Chemical Property Profile of BAS 01175977
Property Insights of BAS 01175977
The XLogP value of 3.8919 indicates that BAS 01175977 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01175977. Following Lipinski's Rule of Five, BAS 01175977 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 BAS 01175977?
The CAS number of BAS 01175977 is 314764-52-8.
What is the molecular formula of BAS 01175977?
The molecular formula of BAS 01175977 is C16H13FN4O2S3.
What is the molecular weight of BAS 01175977?
The molecular weight of BAS 01175977 is 408.02 g/mol.
Where can I buy BAS 01175977?
You can request a quote for BAS 01175977 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01175977?
Yes, KEHONG BIO provides custom synthesis services for BAS 01175977 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.