1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate
TL;DR: 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate (CAS 67766-99-8) is a chemical compound with molecular formula C42H56N6O8 and molecular weight 772.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-[2-(diethylamino)ethyl]-1,4-diazatetracyclo[7.5.1.05,15.010,14]pentadeca-5,7,9(15),10(14)-tetraen-3-one);(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate, (2R,3R)-2,3-Dihydroxybutanedioic acid--3-[2-(diethylamino)ethyl]-8,9-dihydro-1H,7H-cyclopenta[4,5]pyrrolo[1,2,3-de]quinoxalin-2(3H)-one (1/2), RefChem:236861
| Molecular Formula | C42H56N6O8 |
|---|---|
| Molecular Weight | 772.42 g/mol |
| LogP | 3.5142 |
| Topological Polar Surface Area | 172.02 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 772.41595 |
| Heavy Atoms | 56 |
| Complexity | 1949.3561 |
Chemical Identifiers
| CAS Number | 67766-99-8 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)CN2C3=C(CCC3)C4=C2C1=CC=C4.CCN(CC)CCN1C(=O)CN2C3=C(CCC3)C4=C2C1=CC=C4.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate (CAS 67766-99-8), with molecular formula C42H56N6O8 and molecular weight 772.42 g/mol. IUPAC: bis(4-[2-(diethylamino)ethyl]-1,4-diazatetracyclo[7.5.1.05,15.010,14]pentadeca-5,7,9(15),10(14)-tetraen-3-one);(2R,3R)-2,3-dihydroxybutanedioic acid.
Chemical Property Profile of 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate
Property Insights of 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate
The XLogP value of 3.5142 indicates that 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.02 Ų indicates high polarity, suggesting 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate?
The CAS number of 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate is 67766-99-8.
What is the molecular formula of 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate?
The molecular formula of 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate is C42H56N6O8.
What is the molecular weight of 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate?
The molecular weight of 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate is 772.42 g/mol.
Where can I buy 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate?
You can request a quote for 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate?
Yes, KEHONG BIO provides custom synthesis services for 1H,7H-Cyclopenta(4,5)pyrrolo(1,2,3-de)quinoxalin-2(3H)-one, 8,9-dihydro-3-(2-(diethylamino)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1), hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.