BAS 06980921
TL;DR: BAS 06980921 (CAS 600640-83-3) is a chemical compound with molecular formula C22H24N4O4S and molecular weight 440.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide
Also Known As: BAS 06980921, N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide, N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-3-isobutyrylamino-benzamide, N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-[(2-methylpropanoyl)amino]benzamide, N-[3-(N-{5-[(3,4-dimethoxyphenyl)methyl](1,3,4-thiadiazol-2-yl)}carbamoyl)phen yl]-2-methylpropanamide
| Molecular Formula | C22H24N4O4S |
|---|---|
| Molecular Weight | 440.15 g/mol |
| LogP | 3.9929 |
| Topological Polar Surface Area | 102.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.15182 |
| Heavy Atoms | 31 |
| Complexity | 1080.8778 |
Chemical Identifiers
| CAS Number | 600640-83-3 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC |
Product Overview
BAS 06980921 (CAS 600640-83-3), with molecular formula C22H24N4O4S and molecular weight 440.15 g/mol. IUPAC: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide.
Chemical Property Profile of BAS 06980921
Property Insights of BAS 06980921
The XLogP value of 3.9929 indicates that BAS 06980921 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06980921. Following Lipinski's Rule of Five, BAS 06980921 has 2 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 06980921?
The CAS number of BAS 06980921 is 600640-83-3.
What is the molecular formula of BAS 06980921?
The molecular formula of BAS 06980921 is C22H24N4O4S.
What is the molecular weight of BAS 06980921?
The molecular weight of BAS 06980921 is 440.15 g/mol.
Where can I buy BAS 06980921?
You can request a quote for BAS 06980921 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06980921?
Yes, KEHONG BIO provides custom synthesis services for BAS 06980921 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.