1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea
TL;DR: 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea (CAS 489462-94-4) is a chemical compound with molecular formula C19H21ClN4OS and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(3-chlorophenyl)urea
Also Known As: 1-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(3-chlorophenyl)urea, 1-(5-((3r,5r,7r)-adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea, 1-(3-chlorophenyl)-3-[(2E)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C19H21ClN4OS |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 5.3033 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.11246 |
| Heavy Atoms | 26 |
| Complexity | 816.2854 |
Chemical Identifiers
| CAS Number | 489462-94-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)NC5=CC(=CC=C5)Cl |
Product Overview
1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea (CAS 489462-94-4), with molecular formula C19H21ClN4OS and molecular weight 388.11 g/mol. IUPAC: 1-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(3-chlorophenyl)urea.
Chemical Property Profile of 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea
Property Insights of 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea
The XLogP value of 5.3033 indicates that 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea. Following Lipinski's Rule of Five, 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea?
The CAS number of 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea is 489462-94-4.
What is the molecular formula of 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea?
The molecular formula of 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea is C19H21ClN4OS.
What is the molecular weight of 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea?
The molecular weight of 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea is 388.11 g/mol.
Where can I buy 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea?
You can request a quote for 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-((3r,5r,7r)-Adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-3-(3-chlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.