N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea (CAS 708993-20-8) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 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-cyclopropylthiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclopropylthiourea, N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea, 1-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-3-CYCLOPROPYLTHIOUREA, [(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)amino](cyclopropylamino)methane-1-thi one
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.5418 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 446.1318 |
Chemical Identifiers
| CAS Number | 708993-20-8 |
|---|---|
| SMILES | C1CC1NC(=S)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea (CAS 708993-20-8), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclopropylthiourea.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea
The XLogP value of 1.5418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea. With a topological polar surface area (TPSA) of 42.52 Ų, N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea has 2 hydrogen bond donor(s) and 3 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-ylmethyl)-N'-cyclopropylthiourea?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea is 708993-20-8.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea is C12H14N2O2S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea is 250.08 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea 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-ylmethyl)-N'-cyclopropylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclopropylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.