![3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide structure](/static/products/6927/692745-96-3.webp)
3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide
TL;DR: 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide (CAS 692745-96-3) is a chemical compound with molecular formula C21H23N3O6S2 and molecular weight 477.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
Also Known As: 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide, AP-906/42713128, 3,4,5-trimethoxy-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide, 3,4,5-trimethoxy-N-(6-(pyrrolidin-1-ylsulfonyl)benzo[d]thiazol-2-yl)benzamide, 3,4,5-trimethoxy-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]benzamide
| Molecular Formula | C21H23N3O6S2 |
|---|---|
| Molecular Weight | 477.10 g/mol |
| LogP | 3.3589 |
| Topological Polar Surface Area | 107.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.1028 |
| Heavy Atoms | 32 |
| Complexity | 1240.7708 |
Chemical Identifiers
| CAS Number | 692745-96-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4 |
Product Overview
3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide (CAS 692745-96-3), with molecular formula C21H23N3O6S2 and molecular weight 477.10 g/mol. IUPAC: 3,4,5-trimethoxy-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide
Property Insights of 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide
The XLogP value of 3.3589 indicates that 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide. Following Lipinski's Rule of Five, 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide has 1 hydrogen bond donor(s) and 8 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 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide?
The CAS number of 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide is 692745-96-3.
What is the molecular formula of 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide?
The molecular formula of 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide is C21H23N3O6S2.
What is the molecular weight of 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide?
The molecular weight of 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide is 477.10 g/mol.
Where can I buy 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide?
You can request a quote for 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-trimethoxy-N-[(2E)-6-(pyrrolidin-1-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.