Isoretulinal
TL;DR: Isoretulinal (CAS 62835-85-2) is a chemical compound with molecular formula C21H24N2O2 and molecular weight 336.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12Z)-8-acetyl-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene-10-carbaldehyde
Also Known As: ISORETULINAL, (19Z)-1-Acetylcur-19-en-17-al, RefChem:149910
| Molecular Formula | C21H24N2O2 |
|---|---|
| Molecular Weight | 336.18 g/mol |
| LogP | 2.5287 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.18378 |
| Heavy Atoms | 25 |
| Complexity | 800.8407 |
Chemical Identifiers
| CAS Number | 62835-85-2 |
|---|---|
| SMILES | C/C=C/1\CN2CCC34C2CC1C(C3N(C5=CC=CC=C45)C(=O)C)C=O |
Product Overview
Isoretulinal (CAS 62835-85-2), with molecular formula C21H24N2O2 and molecular weight 336.18 g/mol. IUPAC: (12Z)-8-acetyl-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene-10-carbaldehyde.
Chemical Property Profile of Isoretulinal
Property Insights of Isoretulinal
The XLogP value of 2.5287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoretulinal. With a topological polar surface area (TPSA) of 40.62 Ų, Isoretulinal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoretulinal has 0 hydrogen bond donor(s) and 3 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 Isoretulinal?
The CAS number of Isoretulinal is 62835-85-2.
What is the molecular formula of Isoretulinal?
The molecular formula of Isoretulinal is C21H24N2O2.
What is the molecular weight of Isoretulinal?
The molecular weight of Isoretulinal is 336.18 g/mol.
Where can I buy Isoretulinal?
You can request a quote for Isoretulinal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoretulinal?
Yes, KEHONG BIO provides custom synthesis services for Isoretulinal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.