1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea
TL;DR: 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea (CAS 706770-41-4) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea
Also Known As: 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea, AB01328865-02, (indan-5-ylamino)[(4-nitrophenyl)amino]methane-1-thione
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 3.8924 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 728.67084 |
Chemical Identifiers
| CAS Number | 706770-41-4 |
|---|---|
| SMILES | C1CC2=C(C1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea (CAS 706770-41-4), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea.
Chemical Property Profile of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea
Property Insights of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea
The XLogP value of 3.8924 indicates that 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea 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 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea?
The CAS number of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea is 706770-41-4.
What is the molecular formula of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea?
The molecular formula of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea is C16H15N3O2S.
What is the molecular weight of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea?
The molecular weight of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea is 313.09 g/mol.
Where can I buy 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea?
You can request a quote for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.