BRN 0864456
TL;DR: BRN 0864456 (CAS 4055-12-3) is a chemical compound with molecular formula C19H24N4O6 and molecular weight 404.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S)-11-amino-5-butanoyl-7-methoxy-12-methyl-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: (6-Amino-1-butanoyl-8a-methoxy-5-methyl-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, [(8S)-6-Amino-1-butanoyl-8a-methoxy-5-methyl-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, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-amino-1-butyryl-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)
| Molecular Formula | C19H24N4O6 |
|---|---|
| Molecular Weight | 404.17 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.1696 |
| Heavy Atoms | 29 |
| Complexity | 908.0 |
Chemical Identifiers
| CAS Number | 4055-12-3 |
|---|---|
| SMILES | CCCC(=O)N1C2C1C3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC |
| InChIKey | DCHJWLSTFSRMHO-JLCPIPKZSA-N |
Product Overview
BRN 0864456 (CAS 4055-12-3), with molecular formula C19H24N4O6 and molecular weight 404.17 g/mol. IUPAC: [(8S)-11-amino-5-butanoyl-7-methoxy-12-methyl-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 0864456
Property Insights of BRN 0864456
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 0864456. The TPSA of 145.0 Ų indicates high polarity, suggesting BRN 0864456 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRN 0864456 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 0864456?
The CAS number of BRN 0864456 is 4055-12-3.
What is the molecular formula of BRN 0864456?
The molecular formula of BRN 0864456 is C19H24N4O6.
What is the molecular weight of BRN 0864456?
The molecular weight of BRN 0864456 is 404.17 g/mol.
Where can I buy BRN 0864456?
You can request a quote for BRN 0864456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0864456?
Yes, KEHONG BIO provides custom synthesis services for BRN 0864456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.