1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel-
TL;DR: 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel- (CAS 78655-54-6) is a chemical compound with molecular formula C14H16N4O5 and molecular weight 320.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R)-2,6-diamino-3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate
Also Known As: 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel-, [(1R,2R)-2,7-DIAMINO-1-HYDROXY-6-METHYL-5,8-DIOXO-1H,2H,3H,5H,8H-CYCLOHEXA[B]PYRROLIZIN-9-YL]METHYL CARBAMATE, [(1R,2R)-2,7-Diamino-1-hydroxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-9-yl]methyl carbamate, [(2R,3R)-2,6-diamino-3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate, 2alpha,7-Diamino-1alpha-hydroxy-9-[(carbamoyloxy)methyl]-2,3-dihydro-6-methyl-1H-pyrrolo[1,2-a]indole-5,8-dione
| Molecular Formula | C14H16N4O5 |
|---|---|
| Molecular Weight | 320.11 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.11206 |
| Heavy Atoms | 23 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 78655-54-6 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]([C@H](C3=C2COC(=O)N)O)N)N |
| InChIKey | XNHZZRIKMUCTHU-SREIQFSDSA-N |
Product Overview
1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel- (CAS 78655-54-6), with molecular formula C14H16N4O5 and molecular weight 320.11 g/mol. IUPAC: [(2R,3R)-2,6-diamino-3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate.
Chemical Property Profile of 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel-
Property Insights of 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel-
The XLogP value of -0.9 indicates that 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.0 Ų indicates high polarity, suggesting 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel- has 4 hydrogen bond donor(s) and 7 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 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel-?
The CAS number of 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel- is 78655-54-6.
What is the molecular formula of 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel-?
The molecular formula of 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel- is C14H16N4O5.
What is the molecular weight of 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel-?
The molecular weight of 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel- is 320.11 g/mol.
Where can I buy 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel-?
You can request a quote for 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrolo(1,2-a)indole-5,8-dione, 2,7-diamino-9-(((aminocarbonyl)oxy)methyl)-2,3-dihydro-1-hydroxy-6-methyl-, (1R,2R)-rel- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.