N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide
TL;DR: N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide (CAS 6391-92-0) is a chemical compound with molecular formula C26H45NO2S and molecular weight 435.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide
Also Known As: 3,4-dimethoxy-n-hexadecyl-n-methylthiobenzamide, N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide, N-hexadecyl-3,4-dimethoxy-N-methyl-benzenecarbothioamide
| Molecular Formula | C26H45NO2S |
|---|---|
| Molecular Weight | 435.32 g/mol |
| LogP | 7.7924 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 435.3171 |
| Heavy Atoms | 30 |
| Complexity | 576.15204 |
Chemical Identifiers
| CAS Number | 6391-92-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCN(C)C(=S)C1=CC(=C(C=C1)OC)OC |
Product Overview
N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide (CAS 6391-92-0), with molecular formula C26H45NO2S and molecular weight 435.32 g/mol. IUPAC: N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide.
Chemical Property Profile of N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide
Property Insights of N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide
The XLogP value of 7.7924 indicates that N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide?
The CAS number of N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide is 6391-92-0.
What is the molecular formula of N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide?
The molecular formula of N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide is C26H45NO2S.
What is the molecular weight of N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide?
The molecular weight of N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide is 435.32 g/mol.
Where can I buy N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide?
You can request a quote for N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-hexadecyl-3,4-dimethoxy-N-methylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.