1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide
TL;DR: 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide (CAS 172968-00-2) is a chemical compound with molecular formula C16H22ClN3O2S and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclohexylthiourea
Also Known As: 2-(4-chloro-2-methylphenoxy)-N-[(cyclohexylcarbamothioyl)amino]acetamide, 1-(2-(4-CHLORO-2-METHYLPHENOXY)ACETYL)-4-CYCLOHEXYLTHIOSEMICARBAZIDE, 1-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclohexylthiourea, 1-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-3-cyclohexyl-thiourea, 3-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-1-cyclohexyl-thiourea
| Molecular Formula | C16H22ClN3O2S |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 2.85522 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.11212 |
| Heavy Atoms | 23 |
| Complexity | 562.25635 |
Chemical Identifiers
| CAS Number | 172968-00-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=S)NC2CCCCC2 |
Product Overview
1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide (CAS 172968-00-2), with molecular formula C16H22ClN3O2S and molecular weight 355.11 g/mol. IUPAC: 1-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclohexylthiourea.
Chemical Property Profile of 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide
Property Insights of 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide
The XLogP value of 2.85522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide. Following Lipinski's Rule of Five, 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide 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-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide?
The CAS number of 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide is 172968-00-2.
What is the molecular formula of 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide?
The molecular formula of 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide is C16H22ClN3O2S.
What is the molecular weight of 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide?
The molecular weight of 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide is 355.11 g/mol.
Where can I buy 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide?
You can request a quote for 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(4-Chloro-2-methylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.