![N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide structure](/static/products/7130/713098-36-3.webp)
N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide
TL;DR: N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide (CAS 713098-36-3) is a chemical compound with molecular formula C22H22N6O4S2 and molecular weight 498.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide
Also Known As: N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide, N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide
| Molecular Formula | C22H22N6O4S2 |
|---|---|
| Molecular Weight | 498.11 g/mol |
| LogP | 3.1028 |
| Topological Polar Surface Area | 120.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.1144 |
| Heavy Atoms | 34 |
| Complexity | 1303.1859 |
Chemical Identifiers
| CAS Number | 713098-36-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CNC(=O)C4=CC(=C(C=C4)OC)OC |
Product Overview
N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide (CAS 713098-36-3), with molecular formula C22H22N6O4S2 and molecular weight 498.11 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide.
Chemical Property Profile of N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide
Property Insights of N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide
The XLogP value of 3.1028 indicates that N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.26 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide. Following Lipinski's Rule of Five, N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide has 2 hydrogen bond donor(s) and 9 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-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
The CAS number of N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide is 713098-36-3.
What is the molecular formula of N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
The molecular formula of N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide is C22H22N6O4S2.
What is the molecular weight of N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
The molecular weight of N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide is 498.11 g/mol.
Where can I buy N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
You can request a quote for N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.