BAS 00331770
TL;DR: BAS 00331770 (CAS 329205-67-6) is a chemical compound with molecular formula C21H21N5O3S3 and molecular weight 487.08 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-(4-methylphenyl)prop-2-enamide
Also Known As: BAS 00331770, (2E)-N-({4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}carbamothioyl)-3-(4-methylphenyl)prop-2-enamide, (2E)-N-{[(4-{[(5-ethyl(1,3,4-thiadiazol-2-yl))amino]sulfonyl}phenyl)amino]thio xomethyl}-3-(4-methylphenyl)prop-2-enamide, (E)-N-((4-(N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)carbamothioyl)-3-(p-tolyl)acrylamide, (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
| Molecular Formula | C21H21N5O3S3 |
|---|---|
| Molecular Weight | 487.08 g/mol |
| LogP | 3.73612 |
| Topological Polar Surface Area | 113.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.08066 |
| Heavy Atoms | 32 |
| Complexity | 1234.4445 |
Chemical Identifiers
| CAS Number | 329205-67-6 |
|---|---|
| SMILES | CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)C |
Product Overview
BAS 00331770 (CAS 329205-67-6), with molecular formula C21H21N5O3S3 and molecular weight 487.08 g/mol. IUPAC: (E)-N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide.
Chemical Property Profile of BAS 00331770
Property Insights of BAS 00331770
The XLogP value of 3.73612 indicates that BAS 00331770 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 00331770. Following Lipinski's Rule of Five, BAS 00331770 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 00331770?
The CAS number of BAS 00331770 is 329205-67-6.
What is the molecular formula of BAS 00331770?
The molecular formula of BAS 00331770 is C21H21N5O3S3.
What is the molecular weight of BAS 00331770?
The molecular weight of BAS 00331770 is 487.08 g/mol.
Where can I buy BAS 00331770?
You can request a quote for BAS 00331770 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00331770?
Yes, KEHONG BIO provides custom synthesis services for BAS 00331770 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.