MixCom6_002228
TL;DR: MixCom6_002228 (CAS 351335-37-0) is a chemical compound with molecular formula C20H23NO2 and molecular weight 309.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2-phenyl-4,6,7,8,9,9a-hexahydro-3aH-benzo[f]isoindole-1,3-dione
Also Known As: MixCom6_002228, BAS 03840646, BIM-0040085.P001, 5,5-dimethyl-2-phenyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione, 5,5-Dimethyl-2-phenyl-3a,4,5,6,7,8,9,9a-octahydro-benzo[f]isoindole-1,3-dione
| Molecular Formula | C20H23NO2 |
|---|---|
| Molecular Weight | 309.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.17288 |
| Heavy Atoms | 23 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 351335-37-0 |
|---|---|
| SMILES | CC1(CCCC2=C1CC3C(C2)C(=O)N(C3=O)C4=CC=CC=C4)C |
| InChIKey | HUIBWWOGCNJTFS-UHFFFAOYSA-N |
Product Overview
MixCom6_002228 (CAS 351335-37-0), with molecular formula C20H23NO2 and molecular weight 309.17 g/mol. IUPAC: 5,5-dimethyl-2-phenyl-4,6,7,8,9,9a-hexahydro-3aH-benzo[f]isoindole-1,3-dione.
Chemical Property Profile of MixCom6_002228
Property Insights of MixCom6_002228
The XLogP value of 3.3 indicates that MixCom6_002228 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, MixCom6_002228 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MixCom6_002228 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 MixCom6_002228?
The CAS number of MixCom6_002228 is 351335-37-0.
What is the molecular formula of MixCom6_002228?
The molecular formula of MixCom6_002228 is C20H23NO2.
What is the molecular weight of MixCom6_002228?
The molecular weight of MixCom6_002228 is 309.17 g/mol.
Where can I buy MixCom6_002228?
You can request a quote for MixCom6_002228 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002228?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002228 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.