N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide
TL;DR: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide (CAS 942011-80-5) is a chemical compound with molecular formula C20H17ClN2O4S and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide
Also Known As: F1365-2269, N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide, N-[(2Z)-6-chloro-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide, (Z)-N-(6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-3,4,5-trimethoxybenzamide
| Molecular Formula | C20H17ClN2O4S |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 3.7563 |
| Topological Polar Surface Area | 62.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.05975 |
| Heavy Atoms | 28 |
| Complexity | 1132.1976 |
Chemical Identifiers
| CAS Number | 942011-80-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC#C |
Product Overview
N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide (CAS 942011-80-5), with molecular formula C20H17ClN2O4S and molecular weight 416.06 g/mol. IUPAC: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide
Property Insights of N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide
The XLogP value of 3.7563 indicates that N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.05 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide has 0 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-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide?
The CAS number of N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide is 942011-80-5.
What is the molecular formula of N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide?
The molecular formula of N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide is C20H17ClN2O4S.
What is the molecular weight of N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide?
The molecular weight of N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide is 416.06 g/mol.
Where can I buy N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide?
You can request a quote for N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.