BAS 13845826
TL;DR: BAS 13845826 (CAS 878443-40-4) is a chemical compound with molecular formula C21H18N4O3S2 and molecular weight 438.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethoxyphenyl)-2-[(5-quinolin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Also Known As: BAS 13845826, A3917/0166661, N-(2,5-dimethoxyphenyl)-2-((5-(quinolin-2-yl)-1,3,4-thiadiazol-2-yl)thio)acetamide, N-(2,5-dimethoxyphenyl)-2-[(5-quinolin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide, N-(2,5-dimethoxyphenyl)-2-{[5-(quinolin-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
| Molecular Formula | C21H18N4O3S2 |
|---|---|
| Molecular Weight | 438.08 g/mol |
| LogP | 4.5013 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.08203 |
| Heavy Atoms | 30 |
| Complexity | 1195.8188 |
Chemical Identifiers
| CAS Number | 878443-40-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(S2)C3=NC4=CC=CC=C4C=C3 |
Product Overview
BAS 13845826 (CAS 878443-40-4), with molecular formula C21H18N4O3S2 and molecular weight 438.08 g/mol. IUPAC: N-(2,5-dimethoxyphenyl)-2-[(5-quinolin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 13845826
Property Insights of BAS 13845826
The XLogP value of 4.5013 indicates that BAS 13845826 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13845826. Following Lipinski's Rule of Five, BAS 13845826 has 1 hydrogen bond donor(s) and 8 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 13845826?
The CAS number of BAS 13845826 is 878443-40-4.
What is the molecular formula of BAS 13845826?
The molecular formula of BAS 13845826 is C21H18N4O3S2.
What is the molecular weight of BAS 13845826?
The molecular weight of BAS 13845826 is 438.08 g/mol.
Where can I buy BAS 13845826?
You can request a quote for BAS 13845826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13845826?
Yes, KEHONG BIO provides custom synthesis services for BAS 13845826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.