Hovenine A
TL;DR: Hovenine A (CAS 52309-78-1) is a chemical compound with molecular formula C27H42N4O4 and molecular weight 486.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(methylamino)-N-[(10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide
Also Known As: Hovenine A, N-Demethylfrangulanine, 3-methyl-2-(methylamino)-N-[(10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide, 3-methyl-2-(methylamino)-N-[(2Z)-6-(2-methylpropyl)-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]pentanamide, 3-methyl-2-(methylamino)-N-[7-(2-methylpropyl)-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide
| Molecular Formula | C27H42N4O4 |
|---|---|
| Molecular Weight | 486.32 g/mol |
| LogP | 2.8403 |
| Topological Polar Surface Area | 108.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.32062 |
| Heavy Atoms | 35 |
| Complexity | 881.67236 |
Chemical Identifiers
| CAS Number | 52309-78-1 |
|---|---|
| SMILES | CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)/C=C\NC(=O)C(NC1=O)CC(C)C)C(C)C)NC |
Product Overview
Hovenine A (CAS 52309-78-1), with molecular formula C27H42N4O4 and molecular weight 486.32 g/mol. IUPAC: 3-methyl-2-(methylamino)-N-[(10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide.
Chemical Property Profile of Hovenine A
Property Insights of Hovenine A
The XLogP value of 2.8403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hovenine A. The TPSA of 108.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Hovenine A. Following Lipinski's Rule of Five, Hovenine A has 4 hydrogen bond donor(s) and 5 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 Hovenine A?
The CAS number of Hovenine A is 52309-78-1.
What is the molecular formula of Hovenine A?
The molecular formula of Hovenine A is C27H42N4O4.
What is the molecular weight of Hovenine A?
The molecular weight of Hovenine A is 486.32 g/mol.
Where can I buy Hovenine A?
You can request a quote for Hovenine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hovenine A?
Yes, KEHONG BIO provides custom synthesis services for Hovenine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.