![3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide structure](/static/products/842/842957-47-5.png)
3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide
TL;DR: 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide (CAS 842957-47-5) is a chemical compound with molecular formula C21H23Cl2NOS and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1-adamantyl)ethyl]-3,6-dichloro-1-benzothiophene-2-carboxamide
Also Known As: 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide, N-[1-(1-adamantyl)ethyl]-3,6-dichloro-1-benzothiophene-2-carboxamide, N-(1-((3r,5r,7r)-adamantan-1-yl)ethyl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide
| Molecular Formula | C21H23Cl2NOS |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 6.5428 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.08774 |
| Heavy Atoms | 26 |
| Complexity | 854.22437 |
Chemical Identifiers
| CAS Number | 842957-47-5 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl |
Product Overview
3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide (CAS 842957-47-5), with molecular formula C21H23Cl2NOS and molecular weight 407.09 g/mol. IUPAC: N-[1-(1-adamantyl)ethyl]-3,6-dichloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide
Property Insights of 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide
The XLogP value of 6.5428 indicates that 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-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 29.1 Ų, 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide?
The CAS number of 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide is 842957-47-5.
What is the molecular formula of 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide?
The molecular formula of 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide is C21H23Cl2NOS.
What is the molecular weight of 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide?
The molecular weight of 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide is 407.09 g/mol.
Where can I buy 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide?
You can request a quote for 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-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 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,6-dichloro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.