N-cyclohexyl-1,3-benzodioxole-5-carbothioamide
TL;DR: N-cyclohexyl-1,3-benzodioxole-5-carbothioamide (CAS 836662-03-4) is a chemical compound with molecular formula C14H17NO2S and molecular weight 263.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-1,3-benzodioxole-5-carbothioamide
Also Known As: N-cyclohexyl-1,3-benzodioxole-5-carbothioamide, N-CYCLOHEXYL-2H-1,3-BENZODIOXOLE-5-CARBOTHIOAMIDE, N-cyclohexylbenzo[d][1,3]dioxole-5-carbothioamide, VU0194856-4, cyclohexyl-2H-1,3-benzodioxole-5-carbothioamide
| Molecular Formula | C14H17NO2S |
|---|---|
| Molecular Weight | 263.10 g/mol |
| LogP | 3.0131 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.098 |
| Heavy Atoms | 18 |
| Complexity | 455.10727 |
Chemical Identifiers
| CAS Number | 836662-03-4 |
|---|---|
| SMILES | C1CCC(CC1)NC(=S)C2=CC3=C(C=C2)OCO3 |
Product Overview
N-cyclohexyl-1,3-benzodioxole-5-carbothioamide (CAS 836662-03-4), with molecular formula C14H17NO2S and molecular weight 263.10 g/mol. IUPAC: N-cyclohexyl-1,3-benzodioxole-5-carbothioamide.
Chemical Property Profile of N-cyclohexyl-1,3-benzodioxole-5-carbothioamide
Property Insights of N-cyclohexyl-1,3-benzodioxole-5-carbothioamide
The XLogP value of 3.0131 indicates that N-cyclohexyl-1,3-benzodioxole-5-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, N-cyclohexyl-1,3-benzodioxole-5-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-cyclohexyl-1,3-benzodioxole-5-carbothioamide has 1 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-cyclohexyl-1,3-benzodioxole-5-carbothioamide?
The CAS number of N-cyclohexyl-1,3-benzodioxole-5-carbothioamide is 836662-03-4.
What is the molecular formula of N-cyclohexyl-1,3-benzodioxole-5-carbothioamide?
The molecular formula of N-cyclohexyl-1,3-benzodioxole-5-carbothioamide is C14H17NO2S.
What is the molecular weight of N-cyclohexyl-1,3-benzodioxole-5-carbothioamide?
The molecular weight of N-cyclohexyl-1,3-benzodioxole-5-carbothioamide is 263.10 g/mol.
Where can I buy N-cyclohexyl-1,3-benzodioxole-5-carbothioamide?
You can request a quote for N-cyclohexyl-1,3-benzodioxole-5-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-cyclohexyl-1,3-benzodioxole-5-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-cyclohexyl-1,3-benzodioxole-5-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.