1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl-
TL;DR: 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl- (CAS 84754-15-4) is a chemical compound with molecular formula C18H16ClNO4 and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-chlorophenyl)-hydroxymethyl]-6-hydroxy-2-methylindol-1-yl]acetic acid
Also Known As: 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl-, {3-[(4-Chlorophenyl)(hydroxy)methyl]-6-hydroxy-2-methyl-1H-indol-1-yl}acetic acid, 2-[3-[(4-chlorophenyl)-hydroxymethyl]-6-hydroxy-2-methylindol-1-yl]acetic acid
| Molecular Formula | C18H16ClNO4 |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.07678 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 84754-15-4 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC(=O)O)C=C(C=C2)O)C(C3=CC=C(C=C3)Cl)O |
| InChIKey | PBVXHZNFOIJXON-UHFFFAOYSA-N |
Product Overview
1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl- (CAS 84754-15-4), with molecular formula C18H16ClNO4 and molecular weight 345.08 g/mol. IUPAC: 2-[3-[(4-chlorophenyl)-hydroxymethyl]-6-hydroxy-2-methylindol-1-yl]acetic acid.
Chemical Property Profile of 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl-
Property Insights of 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl-
The XLogP value of 3.2 indicates that 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl-. Following Lipinski's Rule of Five, 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl- has 3 hydrogen bond donor(s) and 4 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 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl-?
The CAS number of 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl- is 84754-15-4.
What is the molecular formula of 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl-?
The molecular formula of 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl- is C18H16ClNO4.
What is the molecular weight of 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl-?
The molecular weight of 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl- is 345.08 g/mol.
Where can I buy 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl-?
You can request a quote for 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-1-acetic acid, 3-((4-chlorophenyl)hydroxymethyl)-6-hydroxy-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.