Datelliptium
TL;DR: Datelliptium (CAS 81531-57-9) is a chemical compound with molecular formula C23H28N3O+ and molecular weight 362.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(diethylamino)ethyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
Also Known As: Detalliptinium, DATELLIPTIUM, Datelliptium ion, Datelliptium cation, SR 95156B
| Molecular Formula | C23H28N3O+ |
|---|---|
| Molecular Weight | 362.22 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.22324 |
| Heavy Atoms | 27 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 81531-57-9 |
|---|---|
| SMILES | CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)O)C |
| InChIKey | NGOHTJBYABHJKF-UHFFFAOYSA-O |
Product Overview
Datelliptium (CAS 81531-57-9), with molecular formula C23H28N3O+ and molecular weight 362.22 g/mol. IUPAC: 2-[2-(diethylamino)ethyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol.
Chemical Property Profile of Datelliptium
Property Insights of Datelliptium
The XLogP value of 5.3 indicates that Datelliptium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, Datelliptium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Datelliptium has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Datelliptium?
The CAS number of Datelliptium is 81531-57-9.
What is the molecular formula of Datelliptium?
The molecular formula of Datelliptium is C23H28N3O+.
What is the molecular weight of Datelliptium?
The molecular weight of Datelliptium is 362.22 g/mol.
Where can I buy Datelliptium?
You can request a quote for Datelliptium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Datelliptium?
Yes, KEHONG BIO provides custom synthesis services for Datelliptium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.