BAS 06980930
TL;DR: BAS 06980930 (CAS 600640-91-3) is a chemical compound with molecular formula C20H16ClN3O3S2 and molecular weight 445.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
Also Known As: BAS 06980930, BRD-K75427706-001-01-5, 3-chloro-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide, Benzo[b]thiophene-2-carboxamide,3-chloro-N-[5-[ methyl]-1,3,4-thiadiazol-2-yl]-, 3-chloro-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
| Molecular Formula | C20H16ClN3O3S2 |
|---|---|
| Molecular Weight | 445.03 g/mol |
| LogP | 5.2665 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.03217 |
| Heavy Atoms | 29 |
| Complexity | 1188.9047 |
Chemical Identifiers
| CAS Number | 600640-91-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OC |
Product Overview
BAS 06980930 (CAS 600640-91-3), with molecular formula C20H16ClN3O3S2 and molecular weight 445.03 g/mol. IUPAC: 3-chloro-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of BAS 06980930
Property Insights of BAS 06980930
The XLogP value of 5.2665 indicates that BAS 06980930 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06980930. Following Lipinski's Rule of Five, BAS 06980930 has 1 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 06980930?
The CAS number of BAS 06980930 is 600640-91-3.
What is the molecular formula of BAS 06980930?
The molecular formula of BAS 06980930 is C20H16ClN3O3S2.
What is the molecular weight of BAS 06980930?
The molecular weight of BAS 06980930 is 445.03 g/mol.
Where can I buy BAS 06980930?
You can request a quote for BAS 06980930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06980930?
Yes, KEHONG BIO provides custom synthesis services for BAS 06980930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.