5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde
TL;DR: 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde (CAS 4976-78-7) is a chemical compound with molecular formula C19H18Cl2N2O3S2 and molecular weight 456.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde
Also Known As: 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde, 5-(Azepane-1-sulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde
| Molecular Formula | C19H18Cl2N2O3S2 |
|---|---|
| Molecular Weight | 456.01 g/mol |
| LogP | 5.5804 |
| Topological Polar Surface Area | 70.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.01358 |
| Heavy Atoms | 28 |
| Complexity | 1143.5952 |
Chemical Identifiers
| CAS Number | 4976-78-7 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=C3C=O)C4=C(SC(=C4)Cl)Cl |
Product Overview
5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde (CAS 4976-78-7), with molecular formula C19H18Cl2N2O3S2 and molecular weight 456.01 g/mol. IUPAC: 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde.
Chemical Property Profile of 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde
Property Insights of 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde
The XLogP value of 5.5804 indicates that 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde. Following Lipinski's Rule of Five, 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde 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 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde?
The CAS number of 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde is 4976-78-7.
What is the molecular formula of 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde?
The molecular formula of 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde is C19H18Cl2N2O3S2.
What is the molecular weight of 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde?
The molecular weight of 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde is 456.01 g/mol.
Where can I buy 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde?
You can request a quote for 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-(azepan-1-ylsulfonyl)-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.