Upujutoigkmzba-uhfffaoysa-
TL;DR: Upujutoigkmzba-uhfffaoysa- (CAS 42379-67-9) is a chemical compound with molecular formula C11H14NS+ and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium
Also Known As: UPUJUTOIGKMZBA-UHFFFAOYSA-, 2,5-Dimethyl-3-ethylbenzothiazole-3-ium, 3-Ethyl-2,5-dimethylbenzothiazolium, 3-Ethyl-2,5-dimethylbenzothiazol-3-ium, 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium
| Molecular Formula | C11H14NS+ |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.0847 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 42379-67-9 |
|---|---|
| SMILES | CC[N+]1=C(SC2=C1C=C(C=C2)C)C |
| InChIKey | UPUJUTOIGKMZBA-UHFFFAOYSA-N |
Product Overview
Upujutoigkmzba-uhfffaoysa- (CAS 42379-67-9), with molecular formula C11H14NS+ and molecular weight 192.08 g/mol. IUPAC: 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium.
Chemical Property Profile of Upujutoigkmzba-uhfffaoysa-
Property Insights of Upujutoigkmzba-uhfffaoysa-
The XLogP value of 3.6 indicates that Upujutoigkmzba-uhfffaoysa- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.1 Ų, Upujutoigkmzba-uhfffaoysa- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Upujutoigkmzba-uhfffaoysa- has 0 hydrogen bond donor(s) and 1 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 Upujutoigkmzba-uhfffaoysa-?
The CAS number of Upujutoigkmzba-uhfffaoysa- is 42379-67-9.
What is the molecular formula of Upujutoigkmzba-uhfffaoysa-?
The molecular formula of Upujutoigkmzba-uhfffaoysa- is C11H14NS+.
What is the molecular weight of Upujutoigkmzba-uhfffaoysa-?
The molecular weight of Upujutoigkmzba-uhfffaoysa- is 192.08 g/mol.
Where can I buy Upujutoigkmzba-uhfffaoysa-?
You can request a quote for Upujutoigkmzba-uhfffaoysa- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Upujutoigkmzba-uhfffaoysa-?
Yes, KEHONG BIO provides custom synthesis services for Upujutoigkmzba-uhfffaoysa- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.