![N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide structure](/static/products/4285/428505-29-7.webp)
N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide
TL;DR: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide (CAS 428505-29-7) is a chemical compound with molecular formula C21H17N3O3S2 and molecular weight 423.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide
Also Known As: AB00109187-01, N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide, N-{[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}thiophene-2-carboxamide, N-[[2-(4-ethoxyphenyl)benzooxazol-5-yl]thiocarbamoyl]thiophene-2-carboxamide
| Molecular Formula | C21H17N3O3S2 |
|---|---|
| Molecular Weight | 423.07 g/mol |
| LogP | 5.0818 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.07114 |
| Heavy Atoms | 29 |
| Complexity | 1151.8644 |
Chemical Identifiers
| CAS Number | 428505-29-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CS4 |
Product Overview
N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide (CAS 428505-29-7), with molecular formula C21H17N3O3S2 and molecular weight 423.07 g/mol. IUPAC: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide
Property Insights of N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide
The XLogP value of 5.0818 indicates that N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide has 2 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 N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide?
The CAS number of N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide is 428505-29-7.
What is the molecular formula of N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide?
The molecular formula of N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide is C21H17N3O3S2.
What is the molecular weight of N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide?
The molecular weight of N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide is 423.07 g/mol.
Where can I buy N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide?
You can request a quote for N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.