BRN 0591812
TL;DR: BRN 0591812 (CAS 16910-71-7) is a chemical compound with molecular formula C19H22N4O6 and molecular weight 402.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8S)-11-amino-5-[(E)-but-2-enoyl]-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: Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-amino-1-crotonyl-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)
| Molecular Formula | C19H22N4O6 |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | -0.8361 |
| Topological Polar Surface Area | 145.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.15393 |
| Heavy Atoms | 29 |
| Complexity | 950.346 |
Chemical Identifiers
| CAS Number | 16910-71-7 |
|---|---|
| SMILES | C/C=C/C(=O)N1C2C1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC |
Product Overview
BRN 0591812 (CAS 16910-71-7), with molecular formula C19H22N4O6 and molecular weight 402.15 g/mol. IUPAC: [(7R,8S)-11-amino-5-[(E)-but-2-enoyl]-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 0591812
Property Insights of BRN 0591812
The XLogP value of -0.8361 indicates that BRN 0591812 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.03 Ų indicates high polarity, suggesting BRN 0591812 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRN 0591812 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 0591812?
The CAS number of BRN 0591812 is 16910-71-7.
What is the molecular formula of BRN 0591812?
The molecular formula of BRN 0591812 is C19H22N4O6.
What is the molecular weight of BRN 0591812?
The molecular weight of BRN 0591812 is 402.15 g/mol.
Where can I buy BRN 0591812?
You can request a quote for BRN 0591812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 0591812?
Yes, KEHONG BIO provides custom synthesis services for BRN 0591812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.