1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide
TL;DR: 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide (CAS 853889-96-0) is a chemical compound with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydroisochromene-6-carboxamide
Also Known As: 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide, F1787-0041, 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)isochroman-6-carboxamide, 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydroisochromene-6-carboxamide, (1-oxo-3-phenylisochroman-6-yl)-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)carboxa mide
| Molecular Formula | C23H20N2O3S |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 4.7284 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.11948 |
| Heavy Atoms | 29 |
| Complexity | 1067.2573 |
Chemical Identifiers
| CAS Number | 853889-96-0 |
|---|---|
| SMILES | C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5 |
Product Overview
1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide (CAS 853889-96-0), with molecular formula C23H20N2O3S and molecular weight 404.12 g/mol. IUPAC: 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydroisochromene-6-carboxamide.
Chemical Property Profile of 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Property Insights of 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide
The XLogP value of 4.7284 indicates that 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide. Following Lipinski's Rule of Five, 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide 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 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide?
The CAS number of 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide is 853889-96-0.
What is the molecular formula of 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide?
The molecular formula of 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide is C23H20N2O3S.
What is the molecular weight of 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide?
The molecular weight of 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide is 404.12 g/mol.
Where can I buy 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide?
You can request a quote for 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-oxo-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.