N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide
TL;DR: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide (CAS 361480-50-4) is a chemical compound with molecular formula C25H23N3O4S2 and molecular weight 493.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
Also Known As: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, F0473-0234, 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(6-ethoxybenzo[d]thiazol-2-yl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-ethoxybenzothiazol-2-yl)benzamide
| Molecular Formula | C25H23N3O4S2 |
|---|---|
| Molecular Weight | 493.11 g/mol |
| LogP | 4.6943 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.113 |
| Heavy Atoms | 34 |
| Complexity | 1463.3097 |
Chemical Identifiers
| CAS Number | 361480-50-4 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 |
Product Overview
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide (CAS 361480-50-4), with molecular formula C25H23N3O4S2 and molecular weight 493.11 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide
Property Insights of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide
The XLogP value of 4.6943 indicates that N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide. Following Lipinski's Rule of Five, N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide has 1 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 N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide?
The CAS number of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide is 361480-50-4.
What is the molecular formula of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide?
The molecular formula of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide is C25H23N3O4S2.
What is the molecular weight of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide?
The molecular weight of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide is 493.11 g/mol.
Where can I buy N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide?
You can request a quote for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.