N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide
TL;DR: N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide (CAS 488122-33-4) is a chemical compound with molecular formula C15H11ClN2O3S and molecular weight 334.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide
Also Known As: N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide, 1-Benzo[1,3]dioxol-5-yl-3-(4-chloro-benzoyl)-thiourea, N-(1,3-benzodioxol-5-ylthiocarbamoyl)-4-chloro-benzamide, N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chloranyl-benzamide, N-(benzo[d][1,3]dioxol-5-ylcarbamothioyl)-4-chlorobenzamide
| Molecular Formula | C15H11ClN2O3S |
|---|---|
| Molecular Weight | 334.02 g/mol |
| LogP | 3.1955 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.01788 |
| Heavy Atoms | 22 |
| Complexity | 734.06744 |
Chemical Identifiers
| CAS Number | 488122-33-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide (CAS 488122-33-4), with molecular formula C15H11ClN2O3S and molecular weight 334.02 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide
Property Insights of N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide
The XLogP value of 3.1955 indicates that N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide 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)-4-chlorobenzamide?
The CAS number of N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide is 488122-33-4.
What is the molecular formula of N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide is C15H11ClN2O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide is 334.02 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide 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)-4-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylcarbamothioyl)-4-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.