RefChem:204129
TL;DR: RefChem:204129 (CAS 881601-11-2) is a chemical compound with molecular formula C28H34N2O4 and molecular weight 462.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-(3,4,5-triethoxyphenyl)methanone
Also Known As: (8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)(3,4,5-triethoxyphenyl)methanone, A3910/0166291, (1,2,3a,4,5,6-Hexahydro-8-methyl-3H-pyrazino[3,2,1-jk]carbazol-3-yl)(3,4,5-triethoxyphenyl)methanone, (1,2,3a,4,5,6-Hexahydro-8-methyl-3H-pyrazino(3,2,1-jk)carbazol-3-yl)(3,4,5-triethoxyphenyl)methanone, 8-methyl-3-(3,4,5-triethoxybenzoyl)-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
| Molecular Formula | C28H34N2O4 |
|---|---|
| Molecular Weight | 462.25 g/mol |
| LogP | 5.67922 |
| Topological Polar Surface Area | 52.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.25186 |
| Heavy Atoms | 34 |
| Complexity | 1201.8545 |
Chemical Identifiers
| CAS Number | 881601-11-2 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN3C4=C(C=C(C=C4)C)C5=C3C2CCC5 |
Product Overview
RefChem:204129 (CAS 881601-11-2), with molecular formula C28H34N2O4 and molecular weight 462.25 g/mol. IUPAC: (12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-(3,4,5-triethoxyphenyl)methanone.
Chemical Property Profile of RefChem:204129
Property Insights of RefChem:204129
The XLogP value of 5.67922 indicates that RefChem:204129 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.93 Ų, RefChem:204129 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:204129 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:204129?
The CAS number of RefChem:204129 is 881601-11-2.
What is the molecular formula of RefChem:204129?
The molecular formula of RefChem:204129 is C28H34N2O4.
What is the molecular weight of RefChem:204129?
The molecular weight of RefChem:204129 is 462.25 g/mol.
Where can I buy RefChem:204129?
You can request a quote for RefChem:204129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:204129?
Yes, KEHONG BIO provides custom synthesis services for RefChem:204129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.