N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
TL;DR: N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide (CAS 879915-52-3) is a chemical compound with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
Also Known As: N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide, N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide, N-(benzo[d]thiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydrobenzofuran-2-carboxamide, N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide, N-benzothiazol-2-yl(4-hydroxy-3,6,6-trimethyl(4,5,6,7-tetrahydrobenzo[2,1-d]fu ran-2-yl))carboxamide
| Molecular Formula | C19H20N2O3S |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 4.45582 |
| Topological Polar Surface Area | 75.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.11948 |
| Heavy Atoms | 25 |
| Complexity | 937.36835 |
Chemical Identifiers
| CAS Number | 879915-52-3 |
|---|---|
| SMILES | CC1=C(OC2=C1C(CC(C2)(C)C)O)C(=O)NC3=NC4=CC=CC=C4S3 |
Product Overview
N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide (CAS 879915-52-3), with molecular formula C19H20N2O3S and molecular weight 356.12 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
Property Insights of N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
The XLogP value of 4.45582 indicates that N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide has 2 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 N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is 879915-52-3.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is C19H20N2O3S.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide is 356.12 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.