Antibiotic 79005
TL;DR: Antibiotic 79005 (CAS 87496-48-8) is a chemical compound with molecular formula C24H26N2O2 and molecular weight 374.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxy-1-octylindol-3-yl)indol-3-one
Also Known As: Antibiotic 79005, N(1')-Octadecylindirubin, 2-(2-hydroxy-1-octylindol-3-yl)indol-3-one, (3E)-1-octyl-3-(3-oxo-1H-indol-2-ylidene)indol-2-one, 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-1-octyl-
| Molecular Formula | C24H26N2O2 |
|---|---|
| Molecular Weight | 374.20 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.19943 |
| Heavy Atoms | 28 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 87496-48-8 |
|---|---|
| SMILES | CCCCCCCCN1C2=CC=CC=C2C(=C1O)C3=NC4=CC=CC=C4C3=O |
| InChIKey | UDRVQODNZHFAAI-UHFFFAOYSA-N |
Product Overview
Antibiotic 79005 (CAS 87496-48-8), with molecular formula C24H26N2O2 and molecular weight 374.20 g/mol. IUPAC: 2-(2-hydroxy-1-octylindol-3-yl)indol-3-one.
Chemical Property Profile of Antibiotic 79005
Property Insights of Antibiotic 79005
The XLogP value of 6.0 indicates that Antibiotic 79005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, Antibiotic 79005 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Antibiotic 79005 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Antibiotic 79005?
The CAS number of Antibiotic 79005 is 87496-48-8.
What is the molecular formula of Antibiotic 79005?
The molecular formula of Antibiotic 79005 is C24H26N2O2.
What is the molecular weight of Antibiotic 79005?
The molecular weight of Antibiotic 79005 is 374.20 g/mol.
Where can I buy Antibiotic 79005?
You can request a quote for Antibiotic 79005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antibiotic 79005?
Yes, KEHONG BIO provides custom synthesis services for Antibiotic 79005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.