Diplamine
TL;DR: Diplamine (CAS 123794-30-9) is a chemical compound with molecular formula C20H17N3O2S and molecular weight 363.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(11-methylsulfanyl-12-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl]acetamide
Also Known As: Diplamine, Diplamine A, Acetamide, N-(2-(5-(methylthio)-4-oxo-4H-pyrido(2,3,4-kl)acridin-6-yl)ethyl)-, N-[2-[4-Oxo-5-(methylthio)-4H-pyrido[2,3,4-kl]acridin-6-yl]ethyl]acetamide, N-{2-[5-(methylsulfanyl)-4-oxo-4H-pyrido[2,3,4-kl]acridin-6-yl]ethyl}acetamide
| Molecular Formula | C20H17N3O2S |
|---|---|
| Molecular Weight | 363.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.10416 |
| Heavy Atoms | 26 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 123794-30-9 |
|---|---|
| SMILES | CC(=O)NCCC1=C(C(=O)C2=NC=CC3=C2C1=NC4=CC=CC=C34)SC |
| InChIKey | VAGAHQGPIKRLLK-UHFFFAOYSA-N |
Product Overview
Diplamine (CAS 123794-30-9), with molecular formula C20H17N3O2S and molecular weight 363.10 g/mol. IUPAC: N-[2-(11-methylsulfanyl-12-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl]acetamide.
Chemical Property Profile of Diplamine
Property Insights of Diplamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diplamine. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diplamine. Following Lipinski's Rule of Five, Diplamine has 1 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 Diplamine?
The CAS number of Diplamine is 123794-30-9.
What is the molecular formula of Diplamine?
The molecular formula of Diplamine is C20H17N3O2S.
What is the molecular weight of Diplamine?
The molecular weight of Diplamine is 363.10 g/mol.
Where can I buy Diplamine?
You can request a quote for Diplamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diplamine?
Yes, KEHONG BIO provides custom synthesis services for Diplamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.