N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
TL;DR: N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide (CAS 839680-13-6) is a chemical compound with molecular formula C20H18N2O3S and molecular weight 366.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Also Known As: N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide, 2H,3H,4H-benzo[b]1,4-dioxepin-7-yl-N-[5-benzyl(1,3-thiazol-2-yl)]carboxamide
| Molecular Formula | C20H18N2O3S |
|---|---|
| Molecular Weight | 366.10 g/mol |
| LogP | 4.1475 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.10382 |
| Heavy Atoms | 26 |
| Complexity | 908.42957 |
Chemical Identifiers
| CAS Number | 839680-13-6 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4)OC1 |
Product Overview
N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide (CAS 839680-13-6), with molecular formula C20H18N2O3S and molecular weight 366.10 g/mol. IUPAC: N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide.
Chemical Property Profile of N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Property Insights of N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
The XLogP value of 4.1475 indicates that N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide. Following Lipinski's Rule of Five, N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-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 N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The CAS number of N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is 839680-13-6.
What is the molecular formula of N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The molecular formula of N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is C20H18N2O3S.
What is the molecular weight of N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The molecular weight of N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is 366.10 g/mol.
Where can I buy N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
You can request a quote for N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-benzyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.