Isopinnatal
TL;DR: Isopinnatal (CAS 149471-07-8) is a chemical compound with molecular formula C20H18O5 and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,16R,18S)-6-hydroxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3(8),4,6,10-tetraene-18-carbaldehyde
Also Known As: Isopinnatal, NCI60_031869, (1S,16R,18S)-6-Hydroxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3(8),4,6,10-tetraene-18-carbaldehyde, (1S,16R,18S)-6-hydroxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3,5,7,10-tetraene-18-carbaldehyde, 1,4-Dimethyl-5,10-dioxo-8-hydroxy-1,2,3,3a,4,5,10,11a-octahydro-1alpha,4aalpha-epoxy-4aH-cyclopent[b]anthracene-4alpha-carbaldehyde
| Molecular Formula | C20H18O5 |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.11542 |
| Heavy Atoms | 25 |
| Complexity | 740.0 |
Chemical Identifiers
| CAS Number | 149471-07-8 |
|---|---|
| SMILES | C[C@@]12CCC3C1C=C4C(=O)C5=C(C=CC(=C5)O)C(=O)[C@@]4([C@@]3(C)C=O)O2 |
| InChIKey | NMLFNFAGOHGLMD-GVFSZWDCSA-N |
Product Overview
Isopinnatal (CAS 149471-07-8), with molecular formula C20H18O5 and molecular weight 338.12 g/mol. IUPAC: (1S,16R,18S)-6-hydroxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3(8),4,6,10-tetraene-18-carbaldehyde.
Chemical Property Profile of Isopinnatal
Property Insights of Isopinnatal
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopinnatal. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopinnatal. Following Lipinski's Rule of Five, Isopinnatal has 1 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 Isopinnatal?
The CAS number of Isopinnatal is 149471-07-8.
What is the molecular formula of Isopinnatal?
The molecular formula of Isopinnatal is C20H18O5.
What is the molecular weight of Isopinnatal?
The molecular weight of Isopinnatal is 338.12 g/mol.
Where can I buy Isopinnatal?
You can request a quote for Isopinnatal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopinnatal?
Yes, KEHONG BIO provides custom synthesis services for Isopinnatal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.