N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide
TL;DR: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide (CAS 868674-67-3) is a chemical compound with molecular formula C14H13ClN2OS and molecular weight 292.04 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)butanamide
Also Known As: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide, (Z)-N-(4-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)butyramide, F1816-1154, N-[(2Z)-4-chloro-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]butanamide
| Molecular Formula | C14H13ClN2OS |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 3.2168 |
| Topological Polar Surface Area | 34.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0437 |
| Heavy Atoms | 19 |
| Complexity | 721.1017 |
Chemical Identifiers
| CAS Number | 868674-67-3 |
|---|---|
| SMILES | CCCC(=O)N=C1N(C2=C(S1)C=CC=C2Cl)CC#C |
Product Overview
N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide (CAS 868674-67-3), with molecular formula C14H13ClN2OS and molecular weight 292.04 g/mol. IUPAC: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide.
Chemical Property Profile of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide
Property Insights of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide
The XLogP value of 3.2168 indicates that N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.36 Ų, N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide 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)butanamide has 0 hydrogen bond donor(s) and 2 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)butanamide?
The CAS number of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide is 868674-67-3.
What is the molecular formula of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide?
The molecular formula of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide is C14H13ClN2OS.
What is the molecular weight of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide?
The molecular weight of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide is 292.04 g/mol.
Where can I buy N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide?
You can request a quote for N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide 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)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.