(+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide
TL;DR: (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide (CAS 127943-75-3) is a chemical compound with molecular formula C34H32N6O7S and molecular weight 668.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[6-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-6-methoxy-2,3-dihydroindol-3-yl]methyl methanesulfonate
Also Known As: (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide, [1-[6-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-6-methoxy-2,3-dihydroindol-3-yl]methyl methanesulfonate, 7-[7-(3-{[(Methanesulfonyl)oxy]methyl}-6-methoxy-2,3-dihydro-1H-indole-1-carbonyl)-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboximidic acid
| Molecular Formula | C34H32N6O7S |
|---|---|
| Molecular Weight | 668.21 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 668.2053 |
| Heavy Atoms | 48 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 127943-75-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(CN2C(=O)C3=CC4=C(N3)C=CC5=C4CCN5C(=O)C6=CC7=C(N6)C=CC8=C7CCN8C(=O)N)COS(=O)(=O)C |
| InChIKey | NZMCWUJBSREEDB-UHFFFAOYSA-N |
Product Overview
(+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide (CAS 127943-75-3), with molecular formula C34H32N6O7S and molecular weight 668.21 g/mol. IUPAC: [1-[6-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-6-methoxy-2,3-dihydroindol-3-yl]methyl methanesulfonate.
Chemical Property Profile of (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide
Property Insights of (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide
The XLogP value of 3.0 indicates that (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.0 Ų indicates high polarity, suggesting (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide 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 (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide?
The CAS number of (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide is 127943-75-3.
What is the molecular formula of (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide?
The molecular formula of (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide is C34H32N6O7S.
What is the molecular weight of (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide?
The molecular weight of (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide is 668.21 g/mol.
Where can I buy (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide?
You can request a quote for (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (+/-)-7-((7-((2,3-Dihydro-6-methoxy-3-(((methylsulfonyl)oxy)methyl)-1H-indol-1-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.