RefChem:299405
TL;DR: RefChem:299405 (CAS 94386-44-4) is a chemical compound with molecular formula C18H15ClN2OS3 and molecular weight 406.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-chloro-4-(3-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: EINECS 305-266-4, 3-ALLYL-5-[2-CHLORO-4-(3-METHYLBENZOTHIAZOL-2(3H)-YLIDENE)BUT-2-ENYLIDENE]-2-THIOXOTHIAZOLIDIN-4-ONE, 5-[2-chloro-4-(3-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one, 5-[2-Chloro-4-(3-methyl-2(3H)-benzothiazolylidene)-2-buten-1-ylidene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone, 5-(2-Chloro-4-(3-methyl-2(3H)-benzothiazolylidene)-2-buten-1-ylidene)-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone
| Molecular Formula | C18H15ClN2OS3 |
|---|---|
| Molecular Weight | 406.00 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.0035 |
| Heavy Atoms | 25 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 94386-44-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=CC=C(C=C3C(=O)N(C(=S)S3)CC=C)Cl |
| InChIKey | GGZCNFWOKAWLEU-UHFFFAOYSA-N |
Product Overview
RefChem:299405 (CAS 94386-44-4), with molecular formula C18H15ClN2OS3 and molecular weight 406.00 g/mol. IUPAC: 5-[2-chloro-4-(3-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:299405
Property Insights of RefChem:299405
The XLogP value of 5.5 indicates that RefChem:299405 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:299405. Following Lipinski's Rule of Five, RefChem:299405 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:299405?
The CAS number of RefChem:299405 is 94386-44-4.
What is the molecular formula of RefChem:299405?
The molecular formula of RefChem:299405 is C18H15ClN2OS3.
What is the molecular weight of RefChem:299405?
The molecular weight of RefChem:299405 is 406.00 g/mol.
Where can I buy RefChem:299405?
You can request a quote for RefChem:299405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:299405?
Yes, KEHONG BIO provides custom synthesis services for RefChem:299405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.