BAS 05621022
TL;DR: BAS 05621022 (CAS 510765-96-5) is a chemical compound with molecular formula C18H20N2O5S2 and molecular weight 408.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
Also Known As: BAS 05621022, AF-399/41493299, N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide, N-(3-((1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)furan-2-carboxamide, N-(3-{[(1,1-dioxidotetrahydro-3-thienyl)amino]carbonyl}-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-furamide
| Molecular Formula | C18H20N2O5S2 |
|---|---|
| Molecular Weight | 408.08 g/mol |
| LogP | 2.3891 |
| Topological Polar Surface Area | 105.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.08136 |
| Heavy Atoms | 27 |
| Complexity | 975.8143 |
Chemical Identifiers
| CAS Number | 510765-96-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
BAS 05621022 (CAS 510765-96-5), with molecular formula C18H20N2O5S2 and molecular weight 408.08 g/mol. IUPAC: N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide.
Chemical Property Profile of BAS 05621022
Property Insights of BAS 05621022
The XLogP value of 2.3891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05621022. The TPSA of 105.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05621022. Following Lipinski's Rule of Five, BAS 05621022 has 2 hydrogen bond donor(s) and 6 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 05621022?
The CAS number of BAS 05621022 is 510765-96-5.
What is the molecular formula of BAS 05621022?
The molecular formula of BAS 05621022 is C18H20N2O5S2.
What is the molecular weight of BAS 05621022?
The molecular weight of BAS 05621022 is 408.08 g/mol.
Where can I buy BAS 05621022?
You can request a quote for BAS 05621022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05621022?
Yes, KEHONG BIO provides custom synthesis services for BAS 05621022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.