![1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid structure](/static/products/103/1030609-40-5.webp)
1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
TL;DR: 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CAS 1030609-40-5) is a chemical compound with molecular formula C30H31ClN2O4 and molecular weight 518.19727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C30H31ClN2O4 |
| Molecular Weight | 518.19727 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 91.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.19727 Da |
| Heavy Atoms | 37 |
| Complexity | 777.0 |
| SMILES | CC1=CC(=C(C=C1Cl)C(C)C)OCC2=C(C=CC(=C2)C3C4=C(CC(N3)C(=O)O)C5=CC=CC=C5N4)OC |
| InChIKey | YPQDCPQVFUCCLG-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Property Insights of 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
The XLogP value of 4.7 indicates that 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The CAS number of 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is 1030609-40-5.
What is the molecular formula of 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The molecular formula of 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is C30H31ClN2O4.
What is the molecular weight of 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The molecular weight of 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is 518.19727 g/mol.
Where can I buy 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
You can request a quote for 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-(3-((4-chloro-2-isopropyl-5-methylphenoxy)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.