BAS 05346947
TL;DR: BAS 05346947 (CAS 1008968-45-3) is a chemical compound with molecular formula C22H20N2O4S2 and molecular weight 440.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: BAS 05346947, N-(4-acetylphenyl)-2-(thiophen-2-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, AP-906/41641818, N-(4-acetylphenyl)-2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, N-(4-acetylphenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
| Molecular Formula | C22H20N2O4S2 |
|---|---|
| Molecular Weight | 440.09 g/mol |
| LogP | 3.705 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.08646 |
| Heavy Atoms | 30 |
| Complexity | 1186.1401 |
Chemical Identifiers
| CAS Number | 1008968-45-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4 |
Product Overview
BAS 05346947 (CAS 1008968-45-3), with molecular formula C22H20N2O4S2 and molecular weight 440.09 g/mol. IUPAC: N-(4-acetylphenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of BAS 05346947
Property Insights of BAS 05346947
The XLogP value of 3.705 indicates that BAS 05346947 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05346947. Following Lipinski's Rule of Five, BAS 05346947 has 1 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 05346947?
The CAS number of BAS 05346947 is 1008968-45-3.
What is the molecular formula of BAS 05346947?
The molecular formula of BAS 05346947 is C22H20N2O4S2.
What is the molecular weight of BAS 05346947?
The molecular weight of BAS 05346947 is 440.09 g/mol.
Where can I buy BAS 05346947?
You can request a quote for BAS 05346947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05346947?
Yes, KEHONG BIO provides custom synthesis services for BAS 05346947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.