![3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide structure](/static/products/4454/445416-71-7.webp)
3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide (CAS 445416-71-7) is a chemical compound with molecular formula C23H14Cl2N2O2S and molecular weight 452.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide, AN-465/41161076, 3-chloro-N-(2-(2-chloro-4-methylphenyl)benzo[d]oxazol-5-yl)benzo[b]thiophene-2-carboxamide
| Molecular Formula | C23H14Cl2N2O2S |
|---|---|
| Molecular Weight | 452.02 g/mol |
| LogP | 7.57702 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.0153 |
| Heavy Atoms | 30 |
| Complexity | 1438.2305 |
Chemical Identifiers
| CAS Number | 445416-71-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl)Cl |
Product Overview
3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide (CAS 445416-71-7), with molecular formula C23H14Cl2N2O2S and molecular weight 452.02 g/mol. IUPAC: 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide
The XLogP value of 7.57702 indicates that 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.13 Ų, 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide 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 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide is 445416-71-7.
What is the molecular formula of 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide is C23H14Cl2N2O2S.
What is the molecular weight of 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide is 452.02 g/mol.
Where can I buy 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.