2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione
TL;DR: 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione (CAS 936-05-0) is a chemical compound with molecular formula C28H33NO3 and molecular weight 431.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)isoindole-1,3-dione
Also Known As: 2-(18-oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione, (4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-trihydroxy-10,1, 2-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)isoindole-1,3-dione
| Molecular Formula | C28H33NO3 |
|---|---|
| Molecular Weight | 431.25 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.24603 |
| Heavy Atoms | 32 |
| Complexity | 890.0 |
Chemical Identifiers
| CAS Number | 936-05-0 |
|---|---|
| SMILES | CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)N4C(=O)C5=CC=CC=C5C4=O)C |
| InChIKey | ZZSCRJSMECRJMK-UHFFFAOYSA-N |
Product Overview
2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione (CAS 936-05-0), with molecular formula C28H33NO3 and molecular weight 431.25 g/mol. IUPAC: 2-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)isoindole-1,3-dione.
Chemical Property Profile of 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione
Property Insights of 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione
The XLogP value of 5.7 indicates that 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione?
The CAS number of 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione is 936-05-0.
What is the molecular formula of 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione?
The molecular formula of 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione is C28H33NO3.
What is the molecular weight of 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione?
The molecular weight of 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione is 431.25 g/mol.
Where can I buy 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione?
You can request a quote for 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(18-Oxoabieta-7,13-dien-18-yl)-1h-isoindole-1,3(2h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.