![N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide structure](/static/products/5285/528532-86-7.webp)
N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide
TL;DR: N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide (CAS 528532-86-7) is a chemical compound with molecular formula C19H10ClF2N3O2S2 and molecular weight 448.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide
Also Known As: N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide, N-[[2-(2-chloro-4,5-difluoro-phenyl)benzooxazol-5-yl]thiocarbamoyl]thiophene-2-carboxamide, N-((2-(2-chloro-4,5-difluorophenyl)benzo[d]oxazol-5-yl)carbamothioyl)thiophene-2-carboxamide, N-{[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}thiophene-2-carboxamide
| Molecular Formula | C19H10ClF2N3O2S2 |
|---|---|
| Molecular Weight | 448.99 g/mol |
| LogP | 5.6147 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.9871 |
| Heavy Atoms | 29 |
| Complexity | 1241.9719 |
Chemical Identifiers
| CAS Number | 528532-86-7 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4Cl)F)F |
Product Overview
N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide (CAS 528532-86-7), with molecular formula C19H10ClF2N3O2S2 and molecular weight 448.99 g/mol. IUPAC: N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide
Property Insights of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide
The XLogP value of 5.6147 indicates that N-[[2-(2-chloro-4,5-difluorophenyl)-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 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide has 2 hydrogen bond donor(s) and 5 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-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide?
The CAS number of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide is 528532-86-7.
What is the molecular formula of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide?
The molecular formula of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide is C19H10ClF2N3O2S2.
What is the molecular weight of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide?
The molecular weight of N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide is 448.99 g/mol.
Where can I buy N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide?
You can request a quote for N-[[2-(2-chloro-4,5-difluorophenyl)-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-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.