Pacatal
TL;DR: Pacatal (CAS 3772-71-2) is a chemical compound with molecular formula C19H22N2S and molecular weight 310.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(1-methylpiperidin-4-yl)methyl]phenothiazine
Also Known As: Pacatal, NCIOpen2_008094, 10-((1-Methyl-4-piperidyl)methyl)phenothiazine, P 824, NCI60_013630
| Molecular Formula | C19H22N2S |
|---|---|
| Molecular Weight | 310.15 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.15036 |
| Heavy Atoms | 22 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 3772-71-2 |
|---|---|
| SMILES | CN1CCC(CC1)CN2C3=CC=CC=C3SC4=CC=CC=C42 |
| InChIKey | DLAKWHKNGHJWKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pacatal (CAS 3772-71-2), with molecular formula C19H22N2S and molecular weight 310.15 g/mol. IUPAC: 10-[(1-methylpiperidin-4-yl)methyl]phenothiazine.
Chemical Property Profile of Pacatal
Property Insights of Pacatal
The XLogP value of 5.6 indicates that Pacatal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, Pacatal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pacatal has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pacatal?
The CAS number of Pacatal is 3772-71-2.
What is the molecular formula of Pacatal?
The molecular formula of Pacatal is C19H22N2S.
What is the molecular weight of Pacatal?
The molecular weight of Pacatal is 310.15 g/mol.
Where can I buy Pacatal?
You can request a quote for Pacatal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pacatal?
Yes, KEHONG BIO provides custom synthesis services for Pacatal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.