Butomelide
TL;DR: Butomelide (CAS 34349-88-7) is a chemical compound with molecular formula C22H30N4OS and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]thiourea
Also Known As: Butomelide, 1-(4-butoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]thiourea, 4-(4-Methyl-1-piperazinyl)-4'-n-butoxythiocarbanilide, Carbanilide, 4-butoxy-4'-(4-methyl-1-piperazinyl)thio-, 4-(n-Butoxy)-4'(4''-methylpiperazino-1'')thiocarbanilide
| Molecular Formula | C22H30N4OS |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 4.4262 |
| Topological Polar Surface Area | 39.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.21402 |
| Heavy Atoms | 28 |
| Complexity | 740.137 |
Chemical Identifiers
| CAS Number | 34349-88-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C |
Product Overview
Butomelide (CAS 34349-88-7), with molecular formula C22H30N4OS and molecular weight 398.21 g/mol. IUPAC: 1-(4-butoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]thiourea.
Chemical Property Profile of Butomelide
Property Insights of Butomelide
The XLogP value of 4.4262 indicates that Butomelide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.77 Ų, Butomelide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butomelide has 2 hydrogen bond donor(s) and 4 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 Butomelide?
The CAS number of Butomelide is 34349-88-7.
What is the molecular formula of Butomelide?
The molecular formula of Butomelide is C22H30N4OS.
What is the molecular weight of Butomelide?
The molecular weight of Butomelide is 398.21 g/mol.
Where can I buy Butomelide?
You can request a quote for Butomelide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butomelide?
Yes, KEHONG BIO provides custom synthesis services for Butomelide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.