Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester
TL;DR: Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester (CAS 17656-15-4) is a chemical compound with molecular formula C20H20N2O2S and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-3-yl phenothiazine-10-carboxylate
Also Known As: 3-Quinuclidinyl phenothiazine-10-carboxylate, Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester, 1-azabicyclo[2.2.2]octan-3-yl phenothiazine-10-carboxylate, PHENOTHIAZINE-10-CARBOXYLIC ACID 3-QUINUCLIDINYL ESTER, 1-AZABICYCLO[2.2.2]OCTAN-3-YL 10H-PHENOTHIAZINE-10-CARBOXYLATE
| Molecular Formula | C20H20N2O2S |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.12454 |
| Heavy Atoms | 25 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 17656-15-4 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 |
| InChIKey | UBNXMDIGLOZCMS-UHFFFAOYSA-N |
Product Overview
Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester (CAS 17656-15-4), with molecular formula C20H20N2O2S and molecular weight 352.12 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl phenothiazine-10-carboxylate.
Chemical Property Profile of Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester
Property Insights of Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester
The XLogP value of 4.0 indicates that Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester 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 Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester?
The CAS number of Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester is 17656-15-4.
What is the molecular formula of Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester?
The molecular formula of Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester is C20H20N2O2S.
What is the molecular weight of Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester?
The molecular weight of Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester is 352.12 g/mol.
Where can I buy Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester?
You can request a quote for Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.