1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea
TL;DR: 1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea (CAS 404013-92-9) is a chemical compound with molecular formula C12H16Cl2N2S and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorophenyl)-3-(3-methylbutyl)thiourea
Also Known As: 1-(2,4-dichlorophenyl)-3-(3-methylbutyl)thiourea, AB01331323-02
| Molecular Formula | C12H16Cl2N2S |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 4.3259 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.04114 |
| Heavy Atoms | 17 |
| Complexity | 394.09207 |
Chemical Identifiers
| CAS Number | 404013-92-9 |
|---|---|
| SMILES | CC(C)CCNC(=S)NC1=C(C=C(C=C1)Cl)Cl |
Product Overview
1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea (CAS 404013-92-9), with molecular formula C12H16Cl2N2S and molecular weight 290.04 g/mol. IUPAC: 1-(2,4-dichlorophenyl)-3-(3-methylbutyl)thiourea.
Chemical Property Profile of 1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea
Property Insights of 1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea
The XLogP value of 4.3259 indicates that 1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea has 2 hydrogen bond donor(s) and 1 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-Dichlorophenyl)-3-(3-methylbutyl)thiourea?
The CAS number of 1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea is 404013-92-9.
What is the molecular formula of 1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea?
The molecular formula of 1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea is C12H16Cl2N2S.
What is the molecular weight of 1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea?
The molecular weight of 1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea is 290.04 g/mol.
Where can I buy 1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea?
You can request a quote for 1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea 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-Dichlorophenyl)-3-(3-methylbutyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dichlorophenyl)-3-(3-methylbutyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.