3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one
TL;DR: 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one (CAS 481696-38-2) is a chemical compound with molecular formula C16H13N3OS and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-oxoinden-1-ylidene)amino]-3-phenylthiourea
Also Known As: 1-[(3-oxoinden-1-ylidene)amino]-3-phenylthiourea, 3-(aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one, 1-[(3-oxoindan-1-ylidene)amino]-3-phenyl-thiourea, 1-[(3-oxoinden-1-ylidene)amino]-3-phenyl-thiourea, 3-{[(1E)-3-oxo-2,3-dihydro-1H-inden-1-ylidene]amino}-1-phenylthiourea
| Molecular Formula | C16H13N3OS |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 2.9637 |
| Topological Polar Surface Area | 53.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.07794 |
| Heavy Atoms | 21 |
| Complexity | 725.31177 |
Chemical Identifiers
| CAS Number | 481696-38-2 |
|---|---|
| SMILES | C1C(=NNC(=S)NC2=CC=CC=C2)C3=CC=CC=C3C1=O |
Product Overview
3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one (CAS 481696-38-2), with molecular formula C16H13N3OS and molecular weight 295.08 g/mol. IUPAC: 1-[(3-oxoinden-1-ylidene)amino]-3-phenylthiourea.
Chemical Property Profile of 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one
Property Insights of 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one
The XLogP value of 2.9637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one. With a topological polar surface area (TPSA) of 53.49 Ų, 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one has 2 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 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one?
The CAS number of 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one is 481696-38-2.
What is the molecular formula of 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one?
The molecular formula of 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one is C16H13N3OS.
What is the molecular weight of 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one?
The molecular weight of 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one is 295.08 g/mol.
Where can I buy 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one?
You can request a quote for 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aza(((phenylamino)thioxomethyl)amino)methylene)indan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.