RefChem:118732
TL;DR: RefChem:118732 (CAS 63870-31-5) is a chemical compound with molecular formula C19H25IN2OS and molecular weight 456.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-5,6-dimethyl-1,3-benzoxazol-3-ium iodide
Also Known As: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium, Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-2-thiazolidinylidene)-1-propenyl]-5,6-dimethyl-, iodide, 3-ETHYL-2-[3-(3-ETHYL-2-THIAZOLIDINYLIDENE)-1-PROPENYL]-5,6-DIMETHYL-BENZOXAZOLIUM IODIDE, Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-2-thiazolidinylidene)-1-propen-1-yl]-5,6-dimethyl-, iodide (1:1), 3-Ethyl-2-(3-(3-ethylthiazolidin-2-ylidene)prop-1-enyl)-5,6-dimethylbenzoxazolium iodide
| Molecular Formula | C19H25IN2OS |
|---|---|
| Molecular Weight | 456.07 g/mol |
| LogP | 1.28434 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.07324 |
| Heavy Atoms | 24 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 63870-31-5 |
|---|---|
| SMILES | CCN1CCSC1=CC=CC2=[N+](C3=C(O2)C=C(C(=C3)C)C)CC.[I-] |
| InChIKey | BKEUQOLCUUFPFJ-UHFFFAOYSA-M |
Product Overview
RefChem:118732 (CAS 63870-31-5), with molecular formula C19H25IN2OS and molecular weight 456.07 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-5,6-dimethyl-1,3-benzoxazol-3-ium iodide.
Chemical Property Profile of RefChem:118732
Property Insights of RefChem:118732
The XLogP value of 1.28434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118732. With a topological polar surface area (TPSA) of 45.6 Ų, RefChem:118732 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:118732 has 0 hydrogen bond donor(s) and 4 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 RefChem:118732?
The CAS number of RefChem:118732 is 63870-31-5.
What is the molecular formula of RefChem:118732?
The molecular formula of RefChem:118732 is C19H25IN2OS.
What is the molecular weight of RefChem:118732?
The molecular weight of RefChem:118732 is 456.07 g/mol.
Where can I buy RefChem:118732?
You can request a quote for RefChem:118732 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118732?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118732 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.