Isocopalendial
TL;DR: Isocopalendial (CAS 84807-61-4) is a chemical compound with molecular formula C20H30O2 and molecular weight 302.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1,2-dicarbaldehyde
Also Known As: Isocopalendial, Peonon, J1.388.125A, 8-Methylpodocarp-12-ene-13,14beta-dicarbaldehyde, (1S,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1,2-dicarbaldehyde
| Molecular Formula | C20H30O2 |
|---|---|
| Molecular Weight | 302.22 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.22458 |
| Heavy Atoms | 22 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 84807-61-4 |
|---|---|
| SMILES | C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC=C([C@H]3C=O)C=O)C)(C)C |
| InChIKey | NPOWRDFGFIYMIY-ORZNMBHWSA-N |
Product Overview
Isocopalendial (CAS 84807-61-4), with molecular formula C20H30O2 and molecular weight 302.22 g/mol. IUPAC: (1S,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1,2-dicarbaldehyde.
Chemical Property Profile of Isocopalendial
Property Insights of Isocopalendial
The XLogP value of 5.0 indicates that Isocopalendial is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Isocopalendial exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocopalendial has 0 hydrogen bond donor(s) and 2 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 Isocopalendial?
The CAS number of Isocopalendial is 84807-61-4.
What is the molecular formula of Isocopalendial?
The molecular formula of Isocopalendial is C20H30O2.
What is the molecular weight of Isocopalendial?
The molecular weight of Isocopalendial is 302.22 g/mol.
Where can I buy Isocopalendial?
You can request a quote for Isocopalendial directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocopalendial?
Yes, KEHONG BIO provides custom synthesis services for Isocopalendial and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.