A1814/0076716
TL;DR: A1814/0076716 (CAS 340696-96-0) is a chemical compound with molecular formula C32H31NO4 and molecular weight 493.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl] octanoate
Also Known As: A1814/0076716, 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl octanoate, 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl octanoate (non-preferred name), [2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl] octanoate
| Molecular Formula | C32H31NO4 |
|---|---|
| Molecular Weight | 493.23 g/mol |
| LogP | 6.3491 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.2253 |
| Heavy Atoms | 37 |
| Complexity | 1262.9609 |
Chemical Identifiers
| CAS Number | 340696-96-0 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC=CC=C1N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46 |
Product Overview
A1814/0076716 (CAS 340696-96-0), with molecular formula C32H31NO4 and molecular weight 493.23 g/mol. IUPAC: [2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl] octanoate.
Chemical Property Profile of A1814/0076716
Property Insights of A1814/0076716
The XLogP value of 6.3491 indicates that A1814/0076716 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for A1814/0076716. Following Lipinski's Rule of Five, A1814/0076716 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1814/0076716?
The CAS number of A1814/0076716 is 340696-96-0.
What is the molecular formula of A1814/0076716?
The molecular formula of A1814/0076716 is C32H31NO4.
What is the molecular weight of A1814/0076716?
The molecular weight of A1814/0076716 is 493.23 g/mol.
Where can I buy A1814/0076716?
You can request a quote for A1814/0076716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1814/0076716?
Yes, KEHONG BIO provides custom synthesis services for A1814/0076716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.