(1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one
TL;DR: (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one (CAS 13993-91-4) is a chemical compound with molecular formula C12H13NOS and molecular weight 219.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one
Also Known As: KST-1B0414, 2-Propanoylidene-3-ethylbenzothiazoline, BAS 00009476, BIM-0004853.P001, 1-(3-ethyl-3-hydrobenzothiazol-2-ylidene)acetone
| Molecular Formula | C12H13NOS |
|---|---|
| Molecular Weight | 219.07 g/mol |
| LogP | 3.049 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.0718 |
| Heavy Atoms | 15 |
| Complexity | 425.38522 |
Chemical Identifiers
| CAS Number | 13993-91-4 |
|---|---|
| SMILES | CCN\1C2=CC=CC=C2S/C1=C\C(=O)C |
Product Overview
(1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one (CAS 13993-91-4), with molecular formula C12H13NOS and molecular weight 219.07 g/mol. IUPAC: (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one.
Chemical Property Profile of (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one
Property Insights of (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one
The XLogP value of 3.049 indicates that (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one 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 (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one?
The CAS number of (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one is 13993-91-4.
What is the molecular formula of (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one?
The molecular formula of (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one is C12H13NOS.
What is the molecular weight of (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one?
The molecular weight of (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one is 219.07 g/mol.
Where can I buy (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one?
You can request a quote for (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.