1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea (CAS 708993-16-2) is a chemical compound with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea, N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-furylmethyl)thiourea, 1-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea
| Molecular Formula | C14H14N2O3S |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 2.1726 |
| Topological Polar Surface Area | 55.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.0725 |
| Heavy Atoms | 20 |
| Complexity | 598.47144 |
Chemical Identifiers
| CAS Number | 708993-16-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=CC=CO3 |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea (CAS 708993-16-2), with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea
The XLogP value of 2.1726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea. With a topological polar surface area (TPSA) of 55.66 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea 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 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea is 708993-16-2.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea is C14H14N2O3S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea is 290.07 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-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-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(furan-2-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.