![N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide structure](/static/products/851/851862-82-3.png)
N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide
TL;DR: N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide (CAS 851862-82-3) is a chemical compound with molecular formula C21H19N5O5S2 and molecular weight 485.08 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-1,3,4-oxadiazol-2-yl]methyl]-3,4-dimethoxybenzamide
Also Known As: N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide, N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4-dimethoxybenzamide, N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4-dimethoxybenzamide
| Molecular Formula | C21H19N5O5S2 |
|---|---|
| Molecular Weight | 485.08 g/mol |
| LogP | 3.3573 |
| Topological Polar Surface Area | 128.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.08276 |
| Heavy Atoms | 33 |
| Complexity | 1256.04 |
Chemical Identifiers
| CAS Number | 851862-82-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=NC4=CC=CC=C4S3)OC |
Product Overview
N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide (CAS 851862-82-3), with molecular formula C21H19N5O5S2 and molecular weight 485.08 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4-dimethoxybenzamide.
Chemical Property Profile of N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide
Property Insights of N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide
The XLogP value of 3.3573 indicates that N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.47 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide. Following Lipinski's Rule of Five, N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide has 2 hydrogen bond donor(s) and 10 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-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide?
The CAS number of N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide is 851862-82-3.
What is the molecular formula of N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide?
The molecular formula of N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide is C21H19N5O5S2.
What is the molecular weight of N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide?
The molecular weight of N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide is 485.08 g/mol.
Where can I buy N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide?
You can request a quote for N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-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-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.