MixCom6_002115
TL;DR: MixCom6_002115 (CAS 5985-57-9) is a chemical compound with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2,4,6-trioxo-1-(4-propan-2-ylphenyl)-1,3-diazinan-5-ylidene]methyl]benzoate
Also Known As: MixCom6_002115, methyl 4-[(Z)-[2,4,6-trioxo-1-(4-propan-2-ylphenyl)-1,3-diazinan-5-ylidene]methyl]benzoate, methyl 4-[[2,4,6-trioxo-1-(4-propan-2-ylphenyl)-1,3-diazinan-5-ylidene]methyl]benzoate, Methyl 4-({2,4,6-trioxo-1-[4-(propan-2-yl)phenyl]-1,3-diazinan-5-ylidene}methyl)benzoate
| Molecular Formula | C22H20N2O5 |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 3.263 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.1372 |
| Heavy Atoms | 29 |
| Complexity | 1004.50305 |
Chemical Identifiers
| CAS Number | 5985-57-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)C(=O)NC2=O |
Product Overview
MixCom6_002115 (CAS 5985-57-9), with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol. IUPAC: methyl 4-[[2,4,6-trioxo-1-(4-propan-2-ylphenyl)-1,3-diazinan-5-ylidene]methyl]benzoate.
Chemical Property Profile of MixCom6_002115
Property Insights of MixCom6_002115
The XLogP value of 3.263 indicates that MixCom6_002115 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002115. Following Lipinski's Rule of Five, MixCom6_002115 has 1 hydrogen bond donor(s) and 5 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_002115?
The CAS number of MixCom6_002115 is 5985-57-9.
What is the molecular formula of MixCom6_002115?
The molecular formula of MixCom6_002115 is C22H20N2O5.
What is the molecular weight of MixCom6_002115?
The molecular weight of MixCom6_002115 is 392.14 g/mol.
Where can I buy MixCom6_002115?
You can request a quote for MixCom6_002115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002115?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.