![2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate structure](/static/products/102/1022357-44-3.png)
2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate
TL;DR: 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate (CAS 1022357-44-3) is a chemical compound with molecular formula C26H30N4OS2 and molecular weight 478.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] 3,5-dimethylpiperidine-1-carbodithioate
Also Known As: 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate, [(4-METHYL-3-PHENYL-3H-1,5-BENZODIAZEPIN-2-YL)CARBAMOYL]METHYL 3,5-DIMETHYLPIPERIDINE-1-CARBODITHIOATE, [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] 3,5-dimethylpiperidine-1-carbodithioate, 2-((4-methyl-3-phenyl-3H-benzo[b][1,4]diazepin-2-yl)amino)-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate
| Molecular Formula | C26H30N4OS2 |
|---|---|
| Molecular Weight | 478.19 g/mol |
| LogP | 5.7186 |
| Topological Polar Surface Area | 57.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.1861 |
| Heavy Atoms | 33 |
| Complexity | 1072.7092 |
Chemical Identifiers
| CAS Number | 1022357-44-3 |
|---|---|
| SMILES | CC1CC(CN(C1)C(=S)SCC(=O)NC2=NC3=CC=CC=C3N=C(C2C4=CC=CC=C4)C)C |
Product Overview
2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate (CAS 1022357-44-3), with molecular formula C26H30N4OS2 and molecular weight 478.19 g/mol. IUPAC: [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] 3,5-dimethylpiperidine-1-carbodithioate.
Chemical Property Profile of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate
Property Insights of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate
The XLogP value of 5.7186 indicates that 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.06 Ų, 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate?
The CAS number of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate is 1022357-44-3.
What is the molecular formula of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate?
The molecular formula of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate is C26H30N4OS2.
What is the molecular weight of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate?
The molecular weight of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate is 478.19 g/mol.
Where can I buy 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate?
You can request a quote for 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.