RefChem:186122
TL;DR: RefChem:186122 (CAS 68239-26-9) is a chemical compound with molecular formula C39H48N2O8 and molecular weight 672.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;3-[(2R)-octan-2-yl]phthalic acid
Also Known As: l-2-Octyl phthalate, brucine salt, Strychnidin-10-one, 2,3-dimethoxy-, ((1R)-1-methylheptyl 1,2-benzenedicarboxylate) (1:1), Strychnidin-10-one, 2,3-dimethoxy-, mono((1R)-1-methylheptyl 1,2-benzenedicarboxylate), Strychnidin-10-one, 2,3-dimethoxy-, mono((R)-1-methylheptyl 1,2-benzenedicarboxylate), Strychnidin-10-one, 2,3-dimethoxy-, mono[(1R)-1-methylheptyl 1,2-benzenedicarboxylate]
| Molecular Formula | C39H48N2O8 |
|---|---|
| Molecular Weight | 672.34 g/mol |
| LogP | 6.2666 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 672.34106 |
| Heavy Atoms | 49 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 68239-26-9 |
|---|---|
| SMILES | CCCCCC[C@@H](C)C1=C(C(=CC=C1)C(=O)O)C(=O)O.COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC |
| InChIKey | AIGCMVGMKTZIPN-IOKCYJPOSA-N |
Product Overview
RefChem:186122 (CAS 68239-26-9), with molecular formula C39H48N2O8 and molecular weight 672.34 g/mol. IUPAC: (4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;3-[(2R)-octan-2-yl]phthalic acid.
Chemical Property Profile of RefChem:186122
Property Insights of RefChem:186122
The XLogP value of 6.2666 indicates that RefChem:186122 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:186122. Following Lipinski's Rule of Five, RefChem:186122 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:186122?
The CAS number of RefChem:186122 is 68239-26-9.
What is the molecular formula of RefChem:186122?
The molecular formula of RefChem:186122 is C39H48N2O8.
What is the molecular weight of RefChem:186122?
The molecular weight of RefChem:186122 is 672.34 g/mol.
Where can I buy RefChem:186122?
You can request a quote for RefChem:186122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:186122?
Yes, KEHONG BIO provides custom synthesis services for RefChem:186122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.