![Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate structure](/static/products/830/830338-23-3.png)
Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate
TL;DR: Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate (CAS 830338-23-3) is a chemical compound with molecular formula C24H20N2O4S and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate
Also Known As: ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate, Ethyl 4-[[4-(benzooxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate, ethyl 4-{[4-(benzoxazol-2-ylthiomethyl)phenyl]carbonylamino}benzoate, ethyl 4-[({4-[(1,3-benzoxazol-2-ylsulfanyl)methyl]phenyl}carbonyl)amino]benzoate
| Molecular Formula | C24H20N2O4S |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 5.5491 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.11438 |
| Heavy Atoms | 31 |
| Complexity | 1167.4766 |
Chemical Identifiers
| CAS Number | 830338-23-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4O3 |
Product Overview
Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate (CAS 830338-23-3), with molecular formula C24H20N2O4S and molecular weight 432.11 g/mol. IUPAC: ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate
Property Insights of Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate
The XLogP value of 5.5491 indicates that Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate 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 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate?
The CAS number of Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate is 830338-23-3.
What is the molecular formula of Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate?
The molecular formula of Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate is C24H20N2O4S.
What is the molecular weight of Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate?
The molecular weight of Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate is 432.11 g/mol.
Where can I buy Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate?
You can request a quote for Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]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-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.