6-Benzyloxy-1H-indole-3-carboxylic acid
TL;DR: 6-Benzyloxy-1H-indole-3-carboxylic acid (CAS 86759-08-2) is a chemical compound with molecular formula C29H34Cl2N4OS and molecular weight 556.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]phenoxy]-N,N-dimethylethanamine;hydrochloride
Also Known As: 6-Benzyloxy-1H-indole-3-carboxylic acid
| Molecular Formula | C29H34Cl2N4OS |
|---|---|
| Molecular Weight | 556.18 g/mol |
| LogP | 6.1023 |
| Topological Polar Surface Area | 31.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 556.18304 |
| Heavy Atoms | 37 |
| Complexity | 1214.016 |
Chemical Identifiers
| CAS Number | 86759-08-2 |
|---|---|
| SMILES | CN(C)CCOC1=CC=CC(=C1)C=NN2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.Cl |
Product Overview
6-Benzyloxy-1H-indole-3-carboxylic acid (CAS 86759-08-2), with molecular formula C29H34Cl2N4OS and molecular weight 556.18 g/mol. IUPAC: 2-[3-[[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]phenoxy]-N,N-dimethylethanamine;hydrochloride.
Chemical Property Profile of 6-Benzyloxy-1H-indole-3-carboxylic acid
Property Insights of 6-Benzyloxy-1H-indole-3-carboxylic acid
The XLogP value of 6.1023 indicates that 6-Benzyloxy-1H-indole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.31 Ų, 6-Benzyloxy-1H-indole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Benzyloxy-1H-indole-3-carboxylic acid has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Benzyloxy-1H-indole-3-carboxylic acid?
The CAS number of 6-Benzyloxy-1H-indole-3-carboxylic acid is 86759-08-2.
What is the molecular formula of 6-Benzyloxy-1H-indole-3-carboxylic acid?
The molecular formula of 6-Benzyloxy-1H-indole-3-carboxylic acid is C29H34Cl2N4OS.
What is the molecular weight of 6-Benzyloxy-1H-indole-3-carboxylic acid?
The molecular weight of 6-Benzyloxy-1H-indole-3-carboxylic acid is 556.18 g/mol.
Where can I buy 6-Benzyloxy-1H-indole-3-carboxylic acid?
You can request a quote for 6-Benzyloxy-1H-indole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzyloxy-1H-indole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzyloxy-1H-indole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.