N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea
TL;DR: N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea (CAS 692732-83-5) is a chemical compound with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-(2-cyano-4,5-dimethoxyphenyl)thiourea
Also Known As: Bionet1_004888, MixCom3_000051, N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea, 3-(2H-1,3-benzodioxol-5-yl)-1-(2-cyano-4,5-dimethoxyphenyl)thiourea, 7T-0218
| Molecular Formula | C17H15N3O4S |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 3.11308 |
| Topological Polar Surface Area | 84.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.07834 |
| Heavy Atoms | 25 |
| Complexity | 863.70197 |
Chemical Identifiers
| CAS Number | 692732-83-5 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C#N)NC(=S)NC2=CC3=C(C=C2)OCO3)OC |
Product Overview
N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea (CAS 692732-83-5), with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(2-cyano-4,5-dimethoxyphenyl)thiourea.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea
Property Insights of N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea
The XLogP value of 3.11308 indicates that N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea has 2 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 N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea?
The CAS number of N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea is 692732-83-5.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea?
The molecular formula of N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea is C17H15N3O4S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea?
The molecular weight of N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea is 357.08 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea?
You can request a quote for N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-N'-(2-cyano-4,5-dimethoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.