BAS 03211951
TL;DR: BAS 03211951 (CAS 391876-61-2) is a chemical compound with molecular formula C23H20N2O5S and molecular weight 436.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
Also Known As: BAS 03211951, F0473-0284, N-(2H-1,3-benzodioxol-5-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, N-(benzo[d][1,3]dioxol-5-yl)-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide, N-(1,3-benzodioxol-5-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
| Molecular Formula | C23H20N2O5S |
|---|---|
| Molecular Weight | 436.11 g/mol |
| LogP | 3.4146 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.10928 |
| Heavy Atoms | 31 |
| Complexity | 1255.2134 |
Chemical Identifiers
| CAS Number | 391876-61-2 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 03211951 (CAS 391876-61-2), with molecular formula C23H20N2O5S and molecular weight 436.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide.
Chemical Property Profile of BAS 03211951
Property Insights of BAS 03211951
The XLogP value of 3.4146 indicates that BAS 03211951 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03211951. Following Lipinski's Rule of Five, BAS 03211951 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 03211951?
The CAS number of BAS 03211951 is 391876-61-2.
What is the molecular formula of BAS 03211951?
The molecular formula of BAS 03211951 is C23H20N2O5S.
What is the molecular weight of BAS 03211951?
The molecular weight of BAS 03211951 is 436.11 g/mol.
Where can I buy BAS 03211951?
You can request a quote for BAS 03211951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03211951?
Yes, KEHONG BIO provides custom synthesis services for BAS 03211951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.