![1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea structure](/static/products/1005/1005676-55-0.webp)
1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea
TL;DR: 1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea (CAS 1005676-55-0) is a chemical compound with molecular formula C15H20ClN5S and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea
Also Known As: 1-(tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea, 2-tert-butyl-N-[1-(2-chlorobenzyl)-1H-pyrazol-4-yl]hydrazinecarbothioamide, 3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1-(tert-butylamino)thiourea, 2-(TERT-BUTYL)-N-[1-(2-CHLOROBENZYL)-1H-PYRAZOL-4-YL]-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C15H20ClN5S |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 3.1743 |
| Topological Polar Surface Area | 53.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.1128 |
| Heavy Atoms | 22 |
| Complexity | 647.3775 |
Chemical Identifiers
| CAS Number | 1005676-55-0 |
|---|---|
| SMILES | CC(C)(C)NNC(=S)NC1=CN(N=C1)CC2=CC=CC=C2Cl |
Product Overview
1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea (CAS 1005676-55-0), with molecular formula C15H20ClN5S and molecular weight 337.11 g/mol. IUPAC: 1-(tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea.
Chemical Property Profile of 1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea
Property Insights of 1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea
The XLogP value of 3.1743 indicates that 1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.91 Ų, 1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]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-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea?
The CAS number of 1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea is 1005676-55-0.
What is the molecular formula of 1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea?
The molecular formula of 1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea is C15H20ClN5S.
What is the molecular weight of 1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea?
The molecular weight of 1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea is 337.11 g/mol.
Where can I buy 1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea?
You can request a quote for 1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-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-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Tert-butylamino)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.