BAS 00435614
TL;DR: BAS 00435614 (CAS 418775-00-5) is a chemical compound with molecular formula C18H16BrN5O3S3 and molecular weight 524.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
Also Known As: BAS 00435614, 4-bromo-N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)benzamide, 4-bromo-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]benzamide, 4-[3-(4-Bromo-benzoyl)-thioureido]-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide, 4-bromo-N-((4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)carbamothioyl)benzamide
| Molecular Formula | C18H16BrN5O3S3 |
|---|---|
| Molecular Weight | 524.96 g/mol |
| LogP | 3.7906 |
| Topological Polar Surface Area | 113.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.9599 |
| Heavy Atoms | 30 |
| Complexity | 1162.5375 |
Chemical Identifiers
| CAS Number | 418775-00-5 |
|---|---|
| SMILES | CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br |
Product Overview
BAS 00435614 (CAS 418775-00-5), with molecular formula C18H16BrN5O3S3 and molecular weight 524.96 g/mol. IUPAC: 4-bromo-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]benzamide.
Chemical Property Profile of BAS 00435614
Property Insights of BAS 00435614
The XLogP value of 3.7906 indicates that BAS 00435614 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00435614. Following Lipinski's Rule of Five, BAS 00435614 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00435614?
The CAS number of BAS 00435614 is 418775-00-5.
What is the molecular formula of BAS 00435614?
The molecular formula of BAS 00435614 is C18H16BrN5O3S3.
What is the molecular weight of BAS 00435614?
The molecular weight of BAS 00435614 is 524.96 g/mol.
Where can I buy BAS 00435614?
You can request a quote for BAS 00435614 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435614?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435614 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.