A-Ibdat
TL;DR: A-Ibdat (CAS 152128-80-8) is a chemical compound with molecular formula C18H20N4OS and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-1,1-bis(prop-2-enyl)thiourea
Also Known As: A-Ibdat, N-Allylisatin-beta-4',4'-diallylthiosemicarbazone, 1-Allylisatin-.beta.-4':4'-diallylthiosemicarbazone, 2-(1,2-Dihydro-2-oxo-1-(2-propenyl)-3H-indol-3-ylidene)-N,N-di-2-propenylhydrazinecarbothioamide, 1,1-diallyl-3-[(Z)-(1-allyl-2-oxo-indolin-3-ylidene)amino]thiourea
| Molecular Formula | C18H20N4OS |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.13577 |
| Heavy Atoms | 24 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 152128-80-8 |
|---|---|
| SMILES | C=CCN1C2=CC=CC=C2C(=C1O)N=NC(=S)N(CC=C)CC=C |
| InChIKey | OMMRFGWXNJMHPY-UHFFFAOYSA-N |
Product Overview
A-Ibdat (CAS 152128-80-8), with molecular formula C18H20N4OS and molecular weight 340.14 g/mol. IUPAC: 3-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-1,1-bis(prop-2-enyl)thiourea.
Chemical Property Profile of A-Ibdat
Property Insights of A-Ibdat
The XLogP value of 4.6 indicates that A-Ibdat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for A-Ibdat. Following Lipinski's Rule of Five, A-Ibdat 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 A-Ibdat?
The CAS number of A-Ibdat is 152128-80-8.
What is the molecular formula of A-Ibdat?
The molecular formula of A-Ibdat is C18H20N4OS.
What is the molecular weight of A-Ibdat?
The molecular weight of A-Ibdat is 340.14 g/mol.
Where can I buy A-Ibdat?
You can request a quote for A-Ibdat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-Ibdat?
Yes, KEHONG BIO provides custom synthesis services for A-Ibdat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.