![1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid structure](/static/products/1022/1022924-71-5.webp)
1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
TL;DR: 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS 1022924-71-5) is a chemical compound with molecular formula C26H23N5O3 and molecular weight 453.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid, 1-(3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate, 1-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
| Molecular Formula | C26H23N5O3 |
|---|---|
| Molecular Weight | 453.18 g/mol |
| LogP | 3.6578 |
| Topological Polar Surface Area | 105.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.18008 |
| Heavy Atoms | 34 |
| Complexity | 1536.3325 |
Chemical Identifiers
| CAS Number | 1022924-71-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)CN5C6=CC=CC=C6N=N5 |
Product Overview
1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS 1022924-71-5), with molecular formula C26H23N5O3 and molecular weight 453.18 g/mol. IUPAC: 1-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Property Insights of 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
The XLogP value of 3.6578 indicates that 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid. Following Lipinski's Rule of Five, 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid has 3 hydrogen bond donor(s) and 5 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-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The CAS number of 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is 1022924-71-5.
What is the molecular formula of 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The molecular formula of 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is C26H23N5O3.
What is the molecular weight of 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The molecular weight of 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is 453.18 g/mol.
Where can I buy 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
You can request a quote for 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-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 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.