BAS 10017549
TL;DR: BAS 10017549 (CAS 620578-71-4) is a chemical compound with molecular formula C20H21NO4S2 and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
Also Known As: BAS 10017549, N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide, N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
| Molecular Formula | C20H21NO4S2 |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 3.94064 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.0912 |
| Heavy Atoms | 27 |
| Complexity | 1096.6619 |
Chemical Identifiers
| CAS Number | 620578-71-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=C2C)C(=O)N(CC3=CC=CS3)C4CCS(=O)(=O)C4 |
Product Overview
BAS 10017549 (CAS 620578-71-4), with molecular formula C20H21NO4S2 and molecular weight 403.09 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
Chemical Property Profile of BAS 10017549
Property Insights of BAS 10017549
The XLogP value of 3.94064 indicates that BAS 10017549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10017549. Following Lipinski's Rule of Five, BAS 10017549 has 0 hydrogen bond donor(s) and 5 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 10017549?
The CAS number of BAS 10017549 is 620578-71-4.
What is the molecular formula of BAS 10017549?
The molecular formula of BAS 10017549 is C20H21NO4S2.
What is the molecular weight of BAS 10017549?
The molecular weight of BAS 10017549 is 403.09 g/mol.
Where can I buy BAS 10017549?
You can request a quote for BAS 10017549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10017549?
Yes, KEHONG BIO provides custom synthesis services for BAS 10017549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.