N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
TL;DR: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide (CAS 868377-07-5) is a chemical compound with molecular formula C18H13ClN2O2S and molecular weight 356.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
Also Known As: F1816-0186, N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide, N-[(2Z)-4-chloro-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-methoxybenzamide, (Z)-N-(4-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-3-methoxybenzamide
| Molecular Formula | C18H13ClN2O2S |
|---|---|
| Molecular Weight | 356.04 g/mol |
| LogP | 3.7391 |
| Topological Polar Surface Area | 43.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.03864 |
| Heavy Atoms | 24 |
| Complexity | 1027.4102 |
Chemical Identifiers
| CAS Number | 868377-07-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=CC=C3Cl)CC#C |
Product Overview
N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide (CAS 868377-07-5), with molecular formula C18H13ClN2O2S and molecular weight 356.04 g/mol. IUPAC: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide.
Chemical Property Profile of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
Property Insights of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
The XLogP value of 3.7391 indicates that N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.59 Ų, N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide has 0 hydrogen bond donor(s) and 3 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-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide?
The CAS number of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide is 868377-07-5.
What is the molecular formula of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide?
The molecular formula of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide is C18H13ClN2O2S.
What is the molecular weight of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide?
The molecular weight of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide is 356.04 g/mol.
Where can I buy N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide?
You can request a quote for N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.