(S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea
TL;DR: (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea (CAS 1173667-39-4) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dimethoxyphenyl)-3-[(1S)-2-phenyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)ethyl]urea
Also Known As: (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea, 1-(2,5-dimethoxyphenyl)-3-[(1S)-2-phenyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)ethyl]urea
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 3.85489 |
| Topological Polar Surface Area | 101.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 986.85364 |
Chemical Identifiers
| CAS Number | 1173667-39-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=O)N[C@@H](CC2=CC=CC=C2)C3=NNC(=S)O3 |
Product Overview
(S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea (CAS 1173667-39-4), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: 1-(2,5-dimethoxyphenyl)-3-[(1S)-2-phenyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)ethyl]urea.
Chemical Property Profile of (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea
Property Insights of (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea
The XLogP value of 3.85489 indicates that (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea. Following Lipinski's Rule of Five, (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea has 3 hydrogen bond donor(s) and 6 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 (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea?
The CAS number of (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea is 1173667-39-4.
What is the molecular formula of (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea?
The molecular formula of (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea is C19H20N4O4S.
What is the molecular weight of (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea?
The molecular weight of (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea is 400.12 g/mol.
Where can I buy (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea?
You can request a quote for (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for (S)-1-(2,5-dimethoxyphenyl)-3-(1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-phenylethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.