BAS 06261216
TL;DR: BAS 06261216 (CAS 618079-06-4) is a chemical compound with molecular formula C21H24N2O5S2 and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-2-[(3-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 06261216, N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-2-[(3-METHOXYBENZOYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, N-(1,1-Dioxidotetrahydrothiophen-3-yl)-2-(3-methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(3-methoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(1,1-dioxothiolan-3-yl)-2-[(3-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H24N2O5S2 |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 2.8047 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.11267 |
| Heavy Atoms | 30 |
| Complexity | 1090.8115 |
Chemical Identifiers
| CAS Number | 618079-06-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
BAS 06261216 (CAS 618079-06-4), with molecular formula C21H24N2O5S2 and molecular weight 448.11 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-2-[(3-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 06261216
Property Insights of BAS 06261216
The XLogP value of 2.8047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06261216. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06261216. Following Lipinski's Rule of Five, BAS 06261216 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 06261216?
The CAS number of BAS 06261216 is 618079-06-4.
What is the molecular formula of BAS 06261216?
The molecular formula of BAS 06261216 is C21H24N2O5S2.
What is the molecular weight of BAS 06261216?
The molecular weight of BAS 06261216 is 448.11 g/mol.
Where can I buy BAS 06261216?
You can request a quote for BAS 06261216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06261216?
Yes, KEHONG BIO provides custom synthesis services for BAS 06261216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.