1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea
TL;DR: 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea (CAS 846594-31-8) is a chemical compound with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)thiourea
Also Known As: 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea, 1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)thiourea, 1-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-3-(pyridin-3-ylmethyl)thiourea
| Molecular Formula | C18H20N4O2S |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 2.2475 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.1307 |
| Heavy Atoms | 25 |
| Complexity | 734.5011 |
Chemical Identifiers
| CAS Number | 846594-31-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NOC(C2)CNC(=S)NCC3=CN=CC=C3 |
Product Overview
1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea (CAS 846594-31-8), with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol. IUPAC: 1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)thiourea.
Chemical Property Profile of 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea
Property Insights of 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea
The XLogP value of 2.2475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea. Following Lipinski's Rule of Five, 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea has 2 hydrogen bond donor(s) and 5 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-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea?
The CAS number of 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea is 846594-31-8.
What is the molecular formula of 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea?
The molecular formula of 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea is C18H20N4O2S.
What is the molecular weight of 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea?
The molecular weight of 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea is 356.13 g/mol.
Where can I buy 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea?
You can request a quote for 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-((3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-(pyridin-3-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.