Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride
TL;DR: Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride (CAS 101920-37-0) is a chemical compound with molecular formula C22H23ClN2O2S and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-piperidin-1-ylbut-2-ynyl phenothiazine-10-carboxylate;hydrochloride
Also Known As: Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride, 4-piperidin-1-ylbut-2-ynyl phenothiazine-10-carboxylate hydrochloride, 4-(Piperidin-1-yl)but-2-yn-1-yl 10H-phenothiazine-10-carboxylate--hydrogen chloride (1/1), RefChem:369569
| Molecular Formula | C22H23ClN2O2S |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 5.337 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.11688 |
| Heavy Atoms | 28 |
| Complexity | 841.84576 |
Chemical Identifiers
| CAS Number | 101920-37-0 |
|---|---|
| SMILES | C1CCN(CC1)CC#CCOC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.Cl |
Product Overview
Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride (CAS 101920-37-0), with molecular formula C22H23ClN2O2S and molecular weight 414.12 g/mol. IUPAC: 4-piperidin-1-ylbut-2-ynyl phenothiazine-10-carboxylate;hydrochloride.
Chemical Property Profile of Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride
Property Insights of Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride
The XLogP value of 5.337 indicates that Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride?
The CAS number of Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride is 101920-37-0.
What is the molecular formula of Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride?
The molecular formula of Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride is C22H23ClN2O2S.
What is the molecular weight of Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride?
The molecular weight of Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride is 414.12 g/mol.
Where can I buy Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride?
You can request a quote for Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride 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, 4-piperidino-2-butynyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phenothiazine-10-carboxylic acid, 4-piperidino-2-butynyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.