![1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea structure](/static/products/5213/521327-77-5.webp)
1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
TL;DR: 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea (CAS 521327-77-5) is a chemical compound with molecular formula C21H31N3O2S2 and molecular weight 421.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(1-adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
Also Known As: ChemDiv3_005660, IDI1_023570, BRD-A02087272-001-01-1, 1-[1-(1-adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, 4-[2-({[(adamantanylethyl)amino]thioxomethyl}amino)ethyl]benzenesulfonamide
| Molecular Formula | C21H31N3O2S2 |
|---|---|
| Molecular Weight | 421.19 g/mol |
| LogP | 2.9455 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.18576 |
| Heavy Atoms | 28 |
| Complexity | 800.42737 |
Chemical Identifiers
| CAS Number | 521327-77-5 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCCC4=CC=C(C=C4)S(=O)(=O)N |
Product Overview
1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea (CAS 521327-77-5), with molecular formula C21H31N3O2S2 and molecular weight 421.19 g/mol. IUPAC: 1-[1-(1-adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea.
Chemical Property Profile of 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
Property Insights of 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
The XLogP value of 2.9455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea. Following Lipinski's Rule of Five, 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea has 3 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-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea?
The CAS number of 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea is 521327-77-5.
What is the molecular formula of 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea?
The molecular formula of 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea is C21H31N3O2S2.
What is the molecular weight of 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea?
The molecular weight of 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea is 421.19 g/mol.
Where can I buy 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea?
You can request a quote for 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(1-Adamantyl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.