![N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide structure](/static/products/3473/347331-85-5.webp)
N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide
TL;DR: N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide (CAS 347331-85-5) is a chemical compound with molecular formula C20H14ClN3O2S2 and molecular weight 427.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide
Also Known As: N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide, N-{[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}thiophene-2-carboxamide, N-((4-chloro-3-(5-methylbenzo[d]oxazol-2-yl)phenyl)carbamothioyl)thiophene-2-carboxamide, N-[[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide, N-[[4-chloro-3-(5-methylbenzooxazol-2-yl)phenyl]thiocarbamoyl]thiophene-2-carboxamide
| Molecular Formula | C20H14ClN3O2S2 |
|---|---|
| Molecular Weight | 427.02 g/mol |
| LogP | 5.64492 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.0216 |
| Heavy Atoms | 28 |
| Complexity | 1185.6143 |
Chemical Identifiers
| CAS Number | 347331-85-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=CS4)Cl |
Product Overview
N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide (CAS 347331-85-5), with molecular formula C20H14ClN3O2S2 and molecular weight 427.02 g/mol. IUPAC: N-[[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide
Property Insights of N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide
The XLogP value of 5.64492 indicates that N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide 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-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide. Following Lipinski's Rule of Five, N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide 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-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide?
The CAS number of N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide is 347331-85-5.
What is the molecular formula of N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide?
The molecular formula of N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide is C20H14ClN3O2S2.
What is the molecular weight of N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide?
The molecular weight of N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide is 427.02 g/mol.
Where can I buy N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide?
You can request a quote for N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[[4-Chloro-3-(5-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-2-thiophenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.