n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide
TL;DR: n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide (CAS 5364-54-5) is a chemical compound with molecular formula C25H43NOS and molecular weight 405.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-hexadecyl-4-methoxy-N-methylbenzenecarbothioamide
Also Known As: n-hexadecyl-4-methoxy-n-methylbenzenecarbothioamide, n-hexadecyl-4-methoxy-n-methylthiobenzamide, N-Hexadecyl-4-methoxy-N-methylbenzene-1-carbothioamide
| Molecular Formula | C25H43NOS |
|---|---|
| Molecular Weight | 405.31 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 405.30655 |
| Heavy Atoms | 28 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 5364-54-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCN(C)C(=S)C1=CC=C(C=C1)OC |
| InChIKey | IMCGSELWSFPCDH-UHFFFAOYSA-N |
Product Overview
n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide (CAS 5364-54-5), with molecular formula C25H43NOS and molecular weight 405.31 g/mol. IUPAC: N-hexadecyl-4-methoxy-N-methylbenzenecarbothioamide.
Chemical Property Profile of n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide
Property Insights of n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide
The XLogP value of 9.7 indicates that n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.6 Ų, n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide has 0 hydrogen bond donor(s) and 2 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-4-methoxy-n-methylbenzenecarbothioamide?
The CAS number of n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide is 5364-54-5.
What is the molecular formula of n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide?
The molecular formula of n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide is C25H43NOS.
What is the molecular weight of n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide?
The molecular weight of n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide is 405.31 g/mol.
Where can I buy n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide?
You can request a quote for n-Hexadecyl-4-methoxy-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-4-methoxy-n-methylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for n-Hexadecyl-4-methoxy-n-methylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.