1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea
TL;DR: 1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea (CAS 708284-17-7) is a chemical compound with molecular formula C13H19ClN2O2S and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea
Also Known As: 1-tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea, N-(tert-butyl)-N'-(4-chloro-2,5-dimethoxyphenyl)thiourea
| Molecular Formula | C13H19ClN2O2S |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 3.4421 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.08557 |
| Heavy Atoms | 19 |
| Complexity | 472.4464 |
Chemical Identifiers
| CAS Number | 708284-17-7 |
|---|---|
| SMILES | CC(C)(C)NC(=S)NC1=CC(=C(C=C1OC)Cl)OC |
Product Overview
1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea (CAS 708284-17-7), with molecular formula C13H19ClN2O2S and molecular weight 302.09 g/mol. IUPAC: 1-tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea.
Chemical Property Profile of 1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea
Property Insights of 1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea
The XLogP value of 3.4421 indicates that 1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.52 Ų, 1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea has 2 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-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea?
The CAS number of 1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea is 708284-17-7.
What is the molecular formula of 1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea?
The molecular formula of 1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea is C13H19ClN2O2S.
What is the molecular weight of 1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea?
The molecular weight of 1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea is 302.09 g/mol.
Where can I buy 1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea?
You can request a quote for 1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)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-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-(4-chloro-2,5-dimethoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.