![2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate structure](/static/products/5739/573972-39-1.webp)
2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate
TL;DR: 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate (CAS 573972-39-1) is a chemical compound with molecular formula C23H24N4O2S2 and molecular weight 452.13 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] morpholine-4-carbodithioate
Also Known As: 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate, [(4-METHYL-3-PHENYL-3H-1,5-BENZODIAZEPIN-2-YL)CARBAMOYL]METHYL MORPHOLINE-4-CARBODITHIOATE, [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate, 2-((4-methyl-3-phenyl-3H-benzo[b][1,4]diazepin-2-yl)amino)-2-oxoethyl morpholine-4-carbodithioate
| Molecular Formula | C23H24N4O2S2 |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 4.0729 |
| Topological Polar Surface Area | 66.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.13406 |
| Heavy Atoms | 31 |
| Complexity | 1017.24634 |
Chemical Identifiers
| CAS Number | 573972-39-1 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CSC(=S)N4CCOCC4 |
Product Overview
2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate (CAS 573972-39-1), with molecular formula C23H24N4O2S2 and molecular weight 452.13 g/mol. IUPAC: [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate.
Chemical Property Profile of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate
Property Insights of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate
The XLogP value of 4.0729 indicates that 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate. Following Lipinski's Rule of Five, 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate has 1 hydrogen bond donor(s) and 6 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 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate?
The CAS number of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate is 573972-39-1.
What is the molecular formula of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate?
The molecular formula of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate is C23H24N4O2S2.
What is the molecular weight of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate?
The molecular weight of 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate is 452.13 g/mol.
Where can I buy 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate?
You can request a quote for 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-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 morpholine-4-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl morpholine-4-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.