EINECS 279-780-1
TL;DR: EINECS 279-780-1 (CAS 81531-60-4) is a chemical compound with molecular formula C26H32N3O3+ and molecular weight 434.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
Also Known As: EINECS 279-780-1, 5,11-dimethyl-2-(2-(1-piperidinyl)ethyl)-6H-25-pyrido[4,3-b]carbazol-9-ol acetate, 9-Hydroxy-5,11-dimethyl-2-(2-(piperidyl)ethyl)-6H-pyrido(4,3-b)carbazolium acetate, acetic acid; 5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol, acetic acid;5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
| Molecular Formula | C26H32N3O3+ |
|---|---|
| Molecular Weight | 434.24 g/mol |
| LogP | 4.66104 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.24435 |
| Heavy Atoms | 32 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 81531-60-4 |
|---|---|
| SMILES | CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)CCN5CCCCC5.CC(=O)O |
| InChIKey | KCZFREYKTLNWQR-UHFFFAOYSA-O |
Product Overview
EINECS 279-780-1 (CAS 81531-60-4), with molecular formula C26H32N3O3+ and molecular weight 434.24 g/mol. IUPAC: acetic acid;5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol.
Chemical Property Profile of EINECS 279-780-1
Property Insights of EINECS 279-780-1
The XLogP value of 4.66104 indicates that EINECS 279-780-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 279-780-1. Following Lipinski's Rule of Five, EINECS 279-780-1 has 3 hydrogen bond donor(s) and 4 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 EINECS 279-780-1?
The CAS number of EINECS 279-780-1 is 81531-60-4.
What is the molecular formula of EINECS 279-780-1?
The molecular formula of EINECS 279-780-1 is C26H32N3O3+.
What is the molecular weight of EINECS 279-780-1?
The molecular weight of EINECS 279-780-1 is 434.24 g/mol.
Where can I buy EINECS 279-780-1?
You can request a quote for EINECS 279-780-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-780-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-780-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.