BAS 02976382
TL;DR: BAS 02976382 (CAS 459153-48-1) is a chemical compound with molecular formula C25H26N2O4S and molecular weight 450.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: BAS 02976382, AB00110973-01, A2789/0117835, 2-(4-Methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid, 2-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
| Molecular Formula | C25H26N2O4S |
|---|---|
| Molecular Weight | 450.16 g/mol |
| LogP | 3.1697 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.16132 |
| Heavy Atoms | 32 |
| Complexity | 1178.0785 |
Chemical Identifiers
| CAS Number | 459153-48-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCC4=CC=CC=C4 |
Product Overview
BAS 02976382 (CAS 459153-48-1), with molecular formula C25H26N2O4S and molecular weight 450.16 g/mol. IUPAC: 2-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of BAS 02976382
Property Insights of BAS 02976382
The XLogP value of 3.1697 indicates that BAS 02976382 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02976382. Following Lipinski's Rule of Five, BAS 02976382 has 1 hydrogen bond donor(s) and 4 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 02976382?
The CAS number of BAS 02976382 is 459153-48-1.
What is the molecular formula of BAS 02976382?
The molecular formula of BAS 02976382 is C25H26N2O4S.
What is the molecular weight of BAS 02976382?
The molecular weight of BAS 02976382 is 450.16 g/mol.
Where can I buy BAS 02976382?
You can request a quote for BAS 02976382 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02976382?
Yes, KEHONG BIO provides custom synthesis services for BAS 02976382 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.