Xqmqgxduqplves-uhfffaoysa-
TL;DR: Xqmqgxduqplves-uhfffaoysa- (CAS 63990-10-3) is a chemical compound with molecular formula C10H11ClNS+ and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-ethyl-2-methyl-1,3-benzothiazol-3-ium
Also Known As: XQMQGXDUQPLVES-UHFFFAOYSA-, benzothiazolium, 5-chloro-3-ethyl-2-methyl-, 2-Methyl-3-ethyl-5-chlorobenzothiazole-3-ium, 5-Chloro-3-ethyl-2-methylbenzothiazol-3-ium, 5-chloro-3-ethyl-2-methyl-1,3-benzothiazol-3-ium
| Molecular Formula | C10H11ClNS+ |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.03008 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 63990-10-3 |
|---|---|
| SMILES | CC[N+]1=C(SC2=C1C=C(C=C2)Cl)C |
| InChIKey | XQMQGXDUQPLVES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Xqmqgxduqplves-uhfffaoysa- (CAS 63990-10-3), with molecular formula C10H11ClNS+ and molecular weight 212.03 g/mol. IUPAC: 5-chloro-3-ethyl-2-methyl-1,3-benzothiazol-3-ium.
Chemical Property Profile of Xqmqgxduqplves-uhfffaoysa-
Property Insights of Xqmqgxduqplves-uhfffaoysa-
The XLogP value of 3.8 indicates that Xqmqgxduqplves-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, Xqmqgxduqplves-uhfffaoysa- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xqmqgxduqplves-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 Xqmqgxduqplves-uhfffaoysa-?
The CAS number of Xqmqgxduqplves-uhfffaoysa- is 63990-10-3.
What is the molecular formula of Xqmqgxduqplves-uhfffaoysa-?
The molecular formula of Xqmqgxduqplves-uhfffaoysa- is C10H11ClNS+.
What is the molecular weight of Xqmqgxduqplves-uhfffaoysa-?
The molecular weight of Xqmqgxduqplves-uhfffaoysa- is 212.03 g/mol.
Where can I buy Xqmqgxduqplves-uhfffaoysa-?
You can request a quote for Xqmqgxduqplves-uhfffaoysa- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xqmqgxduqplves-uhfffaoysa-?
Yes, KEHONG BIO provides custom synthesis services for Xqmqgxduqplves-uhfffaoysa- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.