BAS 00413533
TL;DR: BAS 00413533 (CAS 1164524-90-6) is a chemical compound with molecular formula C20H19N5O3S3 and molecular weight 473.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
Also Known As: BAS 00413533, (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide, 4-{[(cinnamoylamino)carbothioyl]amino}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide, N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-4-[3-(3-phenyl-acryloyl)-thioureido]-benzenesulfonamide, N-((4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)carbamothioyl)cinnamamide
| Molecular Formula | C20H19N5O3S3 |
|---|---|
| Molecular Weight | 473.06 g/mol |
| LogP | 3.4277 |
| Topological Polar Surface Area | 113.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.065 |
| Heavy Atoms | 31 |
| Complexity | 1190.3131 |
Chemical Identifiers
| CAS Number | 1164524-90-6 |
|---|---|
| SMILES | CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3 |
Product Overview
BAS 00413533 (CAS 1164524-90-6), with molecular formula C20H19N5O3S3 and molecular weight 473.06 g/mol. IUPAC: (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide.
Chemical Property Profile of BAS 00413533
Property Insights of BAS 00413533
The XLogP value of 3.4277 indicates that BAS 00413533 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 00413533. Following Lipinski's Rule of Five, BAS 00413533 has 3 hydrogen bond donor(s) and 7 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 00413533?
The CAS number of BAS 00413533 is 1164524-90-6.
What is the molecular formula of BAS 00413533?
The molecular formula of BAS 00413533 is C20H19N5O3S3.
What is the molecular weight of BAS 00413533?
The molecular weight of BAS 00413533 is 473.06 g/mol.
Where can I buy BAS 00413533?
You can request a quote for BAS 00413533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00413533?
Yes, KEHONG BIO provides custom synthesis services for BAS 00413533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.