N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide
TL;DR: N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide (CAS 67618-23-9) is a chemical compound with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide
Also Known As: N-(1,3-benzodioxol-5-yl)-N'-benzoylthiourea, N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide, 1-benzoyl-3-(2H-1,3-benzodioxol-5-yl)thiourea, N-(1,3-benzodioxol-5-ylthiocarbamoyl)benzamide, N-[(1,3-benzodioxol-5-ylamino)carbonothioyl]benzamide
| Molecular Formula | C15H12N2O3S |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 2.5421 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.05685 |
| Heavy Atoms | 21 |
| Complexity | 688.573 |
Chemical Identifiers
| CAS Number | 67618-23-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3 |
Product Overview
N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide (CAS 67618-23-9), with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide
Property Insights of N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide
The XLogP value of 2.5421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide. With a topological polar surface area (TPSA) of 59.59 Ų, N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide 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 N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide?
The CAS number of N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide is 67618-23-9.
What is the molecular formula of N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide is C15H12N2O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide is 300.06 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide 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-ylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.