Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester
TL;DR: Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester (CAS 134106-66-4) is a chemical compound with molecular formula C26H26ClN3O7 and molecular weight 527.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-(chloromethyl)-4-hydroxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate
Also Known As: Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, methyl 8-(chloromethyl)-4-hydroxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate, Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid,3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-,methyl ester, Methyl 8-(chloromethyl)-4-hydroxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate, RefChem:326010
| Molecular Formula | C26H26ClN3O7 |
|---|---|
| Molecular Weight | 527.15 g/mol |
| LogP | 4.45842 |
| Topological Polar Surface Area | 126.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.14594 |
| Heavy Atoms | 37 |
| Complexity | 1572.1755 |
Chemical Identifiers
| CAS Number | 134106-66-4 |
|---|---|
| SMILES | CC1=C(C2=C3C(CN(C3=CC(=C2N1)O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl)C(=O)OC |
Product Overview
Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester (CAS 134106-66-4), with molecular formula C26H26ClN3O7 and molecular weight 527.15 g/mol. IUPAC: methyl 8-(chloromethyl)-4-hydroxy-2-methyl-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate.
Chemical Property Profile of Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester
Property Insights of Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester
The XLogP value of 4.45842 indicates that Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester. Following Lipinski's Rule of Five, Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
The CAS number of Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester is 134106-66-4.
What is the molecular formula of Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
The molecular formula of Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester is C26H26ClN3O7.
What is the molecular weight of Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
The molecular weight of Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester is 527.15 g/mol.
Where can I buy Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
You can request a quote for Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 3,6,7,8-tetrahydro-8-(chloromethyl)-4-hydroxy-2-methyl-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.