BRN 0584816
TL;DR: BRN 0584816 (CAS 30823-13-3) is a chemical compound with molecular formula C17H22N4O5 and molecular weight 362.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8S)-11-(dimethylamino)-7-hydroxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Also Known As: Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-1,5-dimethyl-6-dimethylamino-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate, [(8S,8aR)-6-(Dimethylamino)-8a-hydroxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate, [6-(Dimethylamino)-8a-hydroxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate, Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-6-(dimethylamino)-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-1,5-dimethyl-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-
| Molecular Formula | C17H22N4O5 |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.15903 |
| Heavy Atoms | 26 |
| Complexity | 816.0 |
Chemical Identifiers
| CAS Number | 30823-13-3 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)O)N4C)N(C)C |
| InChIKey | PTDRXMIOUXHXFC-QIXFNWECSA-N |
Product Overview
BRN 0584816 (CAS 30823-13-3), with molecular formula C17H22N4O5 and molecular weight 362.16 g/mol. IUPAC: [(7R,8S)-11-(dimethylamino)-7-hydroxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.
Chemical Property Profile of BRN 0584816
Property Insights of BRN 0584816
The XLogP value of -0.1 indicates that BRN 0584816 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 0584816. Following Lipinski's Rule of Five, BRN 0584816 has 2 hydrogen bond donor(s) and 8 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 BRN 0584816?
The CAS number of BRN 0584816 is 30823-13-3.
What is the molecular formula of BRN 0584816?
The molecular formula of BRN 0584816 is C17H22N4O5.
What is the molecular weight of BRN 0584816?
The molecular weight of BRN 0584816 is 362.16 g/mol.
Where can I buy BRN 0584816?
You can request a quote for BRN 0584816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0584816?
Yes, KEHONG BIO provides custom synthesis services for BRN 0584816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.