RefChem:369559
TL;DR: RefChem:369559 (CAS 29140-79-2) is a chemical compound with molecular formula C19H19N3OS3 and molecular weight 401.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-methylpiperazine-1-carbothioyl) phenothiazine-10-carbothioate
Also Known As: Phenothiazine-10-carbonyl 4-methyl-1-piperazinedithiocarboxylate, Phenothiazine-10-carbothioic acid, anhydrosulfide with 4-methyl-1-piperazinecarbodithioic acid, S-(4-methylpiperazine-1-carbothioyl) phenothiazine-10-carbothioate, 4-Methylpiperazine-1-carbothioic 10H-phenothiazine-10-carboxylic thioanhydride, 10H-Phenothiazine-10-carbothioicacid, anhydrosulfide with 4-methyl-1-piperazinecarbodithioic acid
| Molecular Formula | C19H19N3OS3 |
|---|---|
| Molecular Weight | 401.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.06903 |
| Heavy Atoms | 26 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 29140-79-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)SC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 |
| InChIKey | SNSBATSRSJVRNH-UHFFFAOYSA-N |
Product Overview
RefChem:369559 (CAS 29140-79-2), with molecular formula C19H19N3OS3 and molecular weight 401.07 g/mol. IUPAC: S-(4-methylpiperazine-1-carbothioyl) phenothiazine-10-carbothioate.
Chemical Property Profile of RefChem:369559
Property Insights of RefChem:369559
The XLogP value of 4.1 indicates that RefChem:369559 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:369559. Following Lipinski's Rule of Five, RefChem:369559 has 0 hydrogen bond donor(s) and 5 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 RefChem:369559?
The CAS number of RefChem:369559 is 29140-79-2.
What is the molecular formula of RefChem:369559?
The molecular formula of RefChem:369559 is C19H19N3OS3.
What is the molecular weight of RefChem:369559?
The molecular weight of RefChem:369559 is 401.07 g/mol.
Where can I buy RefChem:369559?
You can request a quote for RefChem:369559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:369559?
Yes, KEHONG BIO provides custom synthesis services for RefChem:369559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.