(1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid
TL;DR: (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid (CAS 361369-55-3) is a chemical compound with molecular formula C18H17NO2S and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,5-dimethyl-3-phenylsulfanylindol-2-yl)acetic acid
Also Known As: 2-(1,5-dimethyl-3-phenylsulfanylindol-2-yl)acetic acid, (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid, [1,5-dimethyl-3-(phenylsulfanyl)-1H-indol-2-yl]acetic acid, 2-(1,5-dimethyl-3-(phenylthio)-1H-indol-2-yl)acetic acid, 2-[1,5-DIMETHYL-3-(PHENYLSULFANYL)-1H-INDOL-2-YL]ACETIC ACID
| Molecular Formula | C18H17NO2S |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 4.26502 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.098 |
| Heavy Atoms | 22 |
| Complexity | 837.1645 |
Chemical Identifiers
| CAS Number | 361369-55-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(=C2SC3=CC=CC=C3)CC(=O)O)C |
Product Overview
(1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid (CAS 361369-55-3), with molecular formula C18H17NO2S and molecular weight 311.10 g/mol. IUPAC: 2-(1,5-dimethyl-3-phenylsulfanylindol-2-yl)acetic acid.
Chemical Property Profile of (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid
Property Insights of (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid
The XLogP value of 4.26502 indicates that (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.23 Ų, (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid has 1 hydrogen bond donor(s) and 2 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 (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid?
The CAS number of (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid is 361369-55-3.
What is the molecular formula of (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid?
The molecular formula of (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid is C18H17NO2S.
What is the molecular weight of (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid?
The molecular weight of (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid is 311.10 g/mol.
Where can I buy (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid?
You can request a quote for (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (1,5-Dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.