![7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide structure](/static/products/1005/1005638-06-1.webp)
7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
TL;DR: 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide (CAS 1005638-06-1) is a chemical compound with molecular formula C18H17BrClF2N3O2S and molecular weight 490.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
Also Known As: 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide, 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
| Molecular Formula | C18H17BrClF2N3O2S |
|---|---|
| Molecular Weight | 490.99 g/mol |
| LogP | 5.54114 |
| Topological Polar Surface Area | 47.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.98813 |
| Heavy Atoms | 28 |
| Complexity | 1067.1992 |
Chemical Identifiers
| CAS Number | 1005638-06-1 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)CN(C)C(=O)C2=C(C3=C(C=CC(=C3S2)Br)OC(F)F)Cl |
Product Overview
7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide (CAS 1005638-06-1), with molecular formula C18H17BrClF2N3O2S and molecular weight 490.99 g/mol. IUPAC: 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
Property Insights of 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
The XLogP value of 5.54114 indicates that 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-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 47.36 Ų, 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide has 0 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 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide?
The CAS number of 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide is 1005638-06-1.
What is the molecular formula of 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide?
The molecular formula of 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide is C18H17BrClF2N3O2S.
What is the molecular weight of 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide?
The molecular weight of 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide is 490.99 g/mol.
Where can I buy 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide?
You can request a quote for 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-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 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 7-bromo-3-chloro-4-(difluoromethoxy)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.