A4116/0175486
TL;DR: A4116/0175486 (CAS 893775-28-5) is a chemical compound with molecular formula C18H21NOS2 and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: A4116/0175486, N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 1-Benzothiophene-3-carboxamide, 4,5,6,7-tetrahydro-N-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-, 4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl-N-(4,5,6,7-tetrahydrobenzo[b]thiophen- 3-ylmethyl)carboxamide, N-(4,5,6,7-tetrahydro-1-benzothien-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C18H21NOS2 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 4.4972 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.10645 |
| Heavy Atoms | 22 |
| Complexity | 698.00574 |
Chemical Identifiers
| CAS Number | 893775-28-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=CS2)CNC(=O)C3=CSC4=C3CCCC4 |
Product Overview
A4116/0175486 (CAS 893775-28-5), with molecular formula C18H21NOS2 and molecular weight 331.11 g/mol. IUPAC: N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of A4116/0175486
Property Insights of A4116/0175486
The XLogP value of 4.4972 indicates that A4116/0175486 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, A4116/0175486 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4116/0175486 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4116/0175486?
The CAS number of A4116/0175486 is 893775-28-5.
What is the molecular formula of A4116/0175486?
The molecular formula of A4116/0175486 is C18H21NOS2.
What is the molecular weight of A4116/0175486?
The molecular weight of A4116/0175486 is 331.11 g/mol.
Where can I buy A4116/0175486?
You can request a quote for A4116/0175486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4116/0175486?
Yes, KEHONG BIO provides custom synthesis services for A4116/0175486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.