4-甲基-1-高哌嗪二硫代甲酸
TL;DR: 4-甲基-1-高哌嗪二硫代甲酸 (CAS 32381-60-5) is a chemical compound with molecular formula C7H14N2S2 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基-1-高哌嗪二硫代甲酸
4-methyl-1,4-diazepane-1-carbodithioic acid
Also Known As: Fla 57, 4-Methyl-1-homopiperazinedithiocarboxylic acid, 4-methyl-1,4-diazepane-1-carbodithioic acid, 1H-1, hexahydro-4-methyl-, Hexahydro-4-methyl-1H-1,4-diazepine-1-carbodithioic acid
| Molecular Formula | C7H14N2S2 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.05984 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 32381-60-5 |
|---|---|
| SMILES | CN1CCCN(CC1)C(=S)S |
| InChIKey | UMRORFKGYQPUGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-1-高哌嗪二硫代甲酸 (CAS 32381-60-5), with molecular formula C7H14N2S2 and molecular weight 190.06 g/mol. IUPAC: 4-methyl-1,4-diazepane-1-carbodithioic acid.
Chemical Property Profile of 4-甲基-1-高哌嗪二硫代甲酸
Property Insights of 4-甲基-1-高哌嗪二硫代甲酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-1-高哌嗪二硫代甲酸. With a topological polar surface area (TPSA) of 39.6 Ų, 4-甲基-1-高哌嗪二硫代甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基-1-高哌嗪二硫代甲酸 has 1 hydrogen bond donor(s) and 3 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 4-甲基-1-高哌嗪二硫代甲酸?
The CAS number of 4-甲基-1-高哌嗪二硫代甲酸 is 32381-60-5.
What is the molecular formula of 4-甲基-1-高哌嗪二硫代甲酸?
The molecular formula of 4-甲基-1-高哌嗪二硫代甲酸 is C7H14N2S2.
What is the molecular weight of 4-甲基-1-高哌嗪二硫代甲酸?
The molecular weight of 4-甲基-1-高哌嗪二硫代甲酸 is 190.06 g/mol.
Where can I buy 4-甲基-1-高哌嗪二硫代甲酸?
You can request a quote for 4-甲基-1-高哌嗪二硫代甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-1-高哌嗪二硫代甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-1-高哌嗪二硫代甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.