Antibiotic 79002
TL;DR: Antibiotic 79002 (CAS 82355-81-5) is a chemical compound with molecular formula C18H14N2O2 and molecular weight 290.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-ethyl-2-hydroxyindol-3-yl)indol-3-one
Also Known As: Antibiotic 79002, N(1')-Ethylindirubin, 2-(1-ethyl-2-hydroxyindol-3-yl)indol-3-one, (3E)-1-ethyl-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-ethyl-1,3-dihydro-
| Molecular Formula | C18H14N2O2 |
|---|---|
| Molecular Weight | 290.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.10553 |
| Heavy Atoms | 22 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 82355-81-5 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C(=C1O)C3=NC4=CC=CC=C4C3=O |
| InChIKey | HIVARJHCVCMTCZ-UHFFFAOYSA-N |
Product Overview
Antibiotic 79002 (CAS 82355-81-5), with molecular formula C18H14N2O2 and molecular weight 290.11 g/mol. IUPAC: 2-(1-ethyl-2-hydroxyindol-3-yl)indol-3-one.
Chemical Property Profile of Antibiotic 79002
Property Insights of Antibiotic 79002
The XLogP value of 3.0 indicates that Antibiotic 79002 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 79002 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Antibiotic 79002 has 1 hydrogen bond donor(s) and 3 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 Antibiotic 79002?
The CAS number of Antibiotic 79002 is 82355-81-5.
What is the molecular formula of Antibiotic 79002?
The molecular formula of Antibiotic 79002 is C18H14N2O2.
What is the molecular weight of Antibiotic 79002?
The molecular weight of Antibiotic 79002 is 290.11 g/mol.
Where can I buy Antibiotic 79002?
You can request a quote for Antibiotic 79002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antibiotic 79002?
Yes, KEHONG BIO provides custom synthesis services for Antibiotic 79002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.