RefChem:245606
TL;DR: RefChem:245606 (CAS 56353-72-1) is a chemical compound with molecular formula C41H68N2O7 and molecular weight 700.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,3-bis(dodecoxymethyl)-2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] propanoate
Also Known As: 1,3-Bis((dodecyloxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)barbituric acid, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((dodecyloxy)methyl)-5-(1-oxopropoxy)-5-(1-phenylethyl)-, [1,3-bis(dodecoxymethyl)-2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] propanoate, 1,3-Bis[(dodecyloxy)methyl]-2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl propanoate, BRN 0737933
| Molecular Formula | C41H68N2O7 |
|---|---|
| Molecular Weight | 700.50 g/mol |
| LogP | 10.0629 |
| Topological Polar Surface Area | 102.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 30 |
| Exact Mass | 700.5026 |
| Heavy Atoms | 50 |
| Complexity | 1045.6508 |
Chemical Identifiers
| CAS Number | 56353-72-1 |
|---|---|
| SMILES | CCCCCCCCCCCCOCN1C(=O)C(C(=O)N(C1=O)COCCCCCCCCCCCC)(C(C)C2=CC=CC=C2)OC(=O)CC |
Product Overview
RefChem:245606 (CAS 56353-72-1), with molecular formula C41H68N2O7 and molecular weight 700.50 g/mol. IUPAC: [1,3-bis(dodecoxymethyl)-2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] propanoate.
Chemical Property Profile of RefChem:245606
Property Insights of RefChem:245606
The XLogP value of 10.0629 indicates that RefChem:245606 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.45 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:245606. Following Lipinski's Rule of Five, RefChem:245606 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:245606?
The CAS number of RefChem:245606 is 56353-72-1.
What is the molecular formula of RefChem:245606?
The molecular formula of RefChem:245606 is C41H68N2O7.
What is the molecular weight of RefChem:245606?
The molecular weight of RefChem:245606 is 700.50 g/mol.
Where can I buy RefChem:245606?
You can request a quote for RefChem:245606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245606?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.