N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide
TL;DR: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide (CAS 391222-22-3) is a chemical compound with molecular formula C21H18N2OS and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide
Also Known As: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide, AB00666942-01, F0161-0062, N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-naphthamide
| Molecular Formula | C21H18N2OS |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 5.15008 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.11398 |
| Heavy Atoms | 25 |
| Complexity | 1012.3982 |
Chemical Identifiers
| CAS Number | 391222-22-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC4=CC=CC=C4C=C3 |
Product Overview
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide (CAS 391222-22-3), with molecular formula C21H18N2OS and molecular weight 346.11 g/mol. IUPAC: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide.
Chemical Property Profile of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide
Property Insights of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide
The XLogP value of 5.15008 indicates that N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide?
The CAS number of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide is 391222-22-3.
What is the molecular formula of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide?
The molecular formula of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide is C21H18N2OS.
What is the molecular weight of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide?
The molecular weight of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide is 346.11 g/mol.
Where can I buy N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide?
You can request a quote for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.