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Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate
TL;DR: Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate (CAS 331461-38-2) is a chemical compound with molecular formula C23H37NO3S and molecular weight 407.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate
Also Known As: ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate, ethyl 4-[2-(dodecylsulfanyl)acetamido]benzoate, ethyl4-[2-(dodecylsulfanyl)acetamido]benzoate, ethyl 4-{[(dodecylsulfanyl)acetyl]amino}benzoate, ethyl 4-{[2-(dodecylsulfanyl)acetyl]amino}benzenecarboxylate
| Molecular Formula | C23H37NO3S |
|---|---|
| Molecular Weight | 407.25 g/mol |
| LogP | 6.4559 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 407.24942 |
| Heavy Atoms | 28 |
| Complexity | 545.2833 |
Chemical Identifiers
| CAS Number | 331461-38-2 |
|---|---|
| SMILES | CCCCCCCCCCCCSCC(=O)NC1=CC=C(C=C1)C(=O)OCC |
Product Overview
Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate (CAS 331461-38-2), with molecular formula C23H37NO3S and molecular weight 407.25 g/mol. IUPAC: ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate
Property Insights of Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate
The XLogP value of 6.4559 indicates that Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate?
The CAS number of Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate is 331461-38-2.
What is the molecular formula of Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate?
The molecular formula of Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate is C23H37NO3S.
What is the molecular weight of Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate?
The molecular weight of Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate is 407.25 g/mol.
Where can I buy Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate?
You can request a quote for Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.