![N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide structure](/static/products/7082/708250-72-0.webp)
N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide (CAS 708250-72-0) is a chemical compound with molecular formula C16H13ClN2O4S and molecular weight 364.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
Also Known As: AP-970/42769225, N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide, N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(5-chloro-2-methoxyphenyl)thiourea
| Molecular Formula | C16H13ClN2O4S |
|---|---|
| Molecular Weight | 364.03 g/mol |
| LogP | 3.2041 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.02844 |
| Heavy Atoms | 24 |
| Complexity | 812.65955 |
Chemical Identifiers
| CAS Number | 708250-72-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide (CAS 708250-72-0), with molecular formula C16H13ClN2O4S and molecular weight 364.03 g/mol. IUPAC: N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.2041 indicates that N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide has 2 hydrogen bond donor(s) and 5 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-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide is 708250-72-0.
What is the molecular formula of N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide is C16H13ClN2O4S.
What is the molecular weight of N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide is 364.03 g/mol.
Where can I buy N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-chloro-2-methoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.