3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea
TL;DR: 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea (CAS 93856-92-9) is a chemical compound with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-prop-2-enylthiourea
Also Known As: EINECS 299-126-9, 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea, 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-prop-2-enylthiourea, 3-ALLYL-1-[2-HYDROXY-1-(HYDROXYMETHYL)-2-(4-NITROPHENYL)ETHYL]THIOUREA, 1-[1,3-DIHYDROXY-1-(4-NITROPHENYL)PROPAN-2-YL]-3-(PROP-2-EN-1-YL)THIOUREA
| Molecular Formula | C13H17N3O4S |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 0.6392 |
| Topological Polar Surface Area | 107.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.09396 |
| Heavy Atoms | 21 |
| Complexity | 506.64276 |
Chemical Identifiers
| CAS Number | 93856-92-9 |
|---|---|
| SMILES | C=CCNC(=S)NC(CO)C(C1=CC=C(C=C1)[N+](=O)[O-])O |
Product Overview
3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea (CAS 93856-92-9), with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol. IUPAC: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-prop-2-enylthiourea.
Chemical Property Profile of 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea
Property Insights of 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea
The XLogP value of 0.6392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea. The TPSA of 107.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea. Following Lipinski's Rule of Five, 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea has 4 hydrogen bond donor(s) and 5 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-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea?
The CAS number of 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea is 93856-92-9.
What is the molecular formula of 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea?
The molecular formula of 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea is C13H17N3O4S.
What is the molecular weight of 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea?
The molecular weight of 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea is 311.09 g/mol.
Where can I buy 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea?
You can request a quote for 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-1-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.