![1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea structure](/static/products/1005/1005563-86-9.webp)
1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea
TL;DR: 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea (CAS 1005563-86-9) is a chemical compound with molecular formula C20H27ClN8OS and molecular weight 462.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea
Also Known As: 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea, 2-{[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}-N-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-1-HYDRAZINECARBOTHIOAMIDE, 2-{[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}-N-(1-ethyl-5-methyl-1H-pyrazol-4-yl)hydrazinecarbothioamide
| Molecular Formula | C20H27ClN8OS |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 2.76962 |
| Topological Polar Surface Area | 101.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.1717 |
| Heavy Atoms | 31 |
| Complexity | 1018.2983 |
Chemical Identifiers
| CAS Number | 1005563-86-9 |
|---|---|
| SMILES | CCN1C(=C(C=N1)NC(=S)NNC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl)C |
Product Overview
1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea (CAS 1005563-86-9), with molecular formula C20H27ClN8OS and molecular weight 462.17 g/mol. IUPAC: 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea.
Chemical Property Profile of 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea
Property Insights of 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea
The XLogP value of 2.76962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea. The TPSA of 101.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea. Following Lipinski's Rule of Five, 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea has 3 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 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea?
The CAS number of 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea is 1005563-86-9.
What is the molecular formula of 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea?
The molecular formula of 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea is C20H27ClN8OS.
What is the molecular weight of 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea?
The molecular weight of 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea is 462.17 g/mol.
Where can I buy 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea?
You can request a quote for 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.