ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate
TL;DR: ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate (CAS 681159-76-2) is a chemical compound with molecular formula C20H16N2O3S2 and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-5-(naphthalene-2-carbonylamino)-4-thiocyanatothiophene-2-carboxylate
Also Known As: ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate, ethyl 4-(cyanosulfanyl)-3-methyl-5-(naphthalene-2-amido)thiophene-2-carboxylate, F0536-0481, ethyl 3-methyl-5-(naphthalene-2-carbonylamino)-4-thiocyanatothiophene-2-carboxylate
| Molecular Formula | C20H16N2O3S2 |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 5.2119 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.06024 |
| Heavy Atoms | 27 |
| Complexity | 1066.7643 |
Chemical Identifiers
| CAS Number | 681159-76-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3C=C2)SC#N)C |
Product Overview
ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate (CAS 681159-76-2), with molecular formula C20H16N2O3S2 and molecular weight 396.06 g/mol. IUPAC: ethyl 3-methyl-5-(naphthalene-2-carbonylamino)-4-thiocyanatothiophene-2-carboxylate.
Chemical Property Profile of ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate
Property Insights of ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate
The XLogP value of 5.2119 indicates that ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate?
The CAS number of ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate is 681159-76-2.
What is the molecular formula of ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate?
The molecular formula of ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate is C20H16N2O3S2.
What is the molecular weight of ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate?
The molecular weight of ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate is 396.06 g/mol.
Where can I buy ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate?
You can request a quote for ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(2-naphthamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.