RefChem:1052729
TL;DR: RefChem:1052729 (CAS 31164-82-6) is a chemical compound with molecular formula C16H26N2O5 and molecular weight 326.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(methoxymethyl)-5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-Dimethoxymethyl-5-allyl-5-(2-pentyl)barbituric acid, 5-Allyl-1,3-bis(methoxymethyl)-5-(1-methylbutyl)barbituric acid, BARBITURIC ACID, 5-ALLYL-1,3-BIS(METHOXYMETHYL)-5-(1-METHYLBUTYL)-, 1,3-BIS(METHOXYMETHYL)-5-(PENTAN-2-YL)-5-(PROP-2-EN-1-YL)-1,3-DIAZINANE-2,4,6-TRIONE, 1,3-bis(methoxymethyl)-5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C16H26N2O5 |
|---|---|
| Molecular Weight | 326.18 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 326.18417 |
| Heavy Atoms | 23 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 31164-82-6 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)N(C(=O)N(C1=O)COC)COC)CC=C |
| InChIKey | MRMGFENVCXUPLL-UHFFFAOYSA-N |
Product Overview
RefChem:1052729 (CAS 31164-82-6), with molecular formula C16H26N2O5 and molecular weight 326.18 g/mol. IUPAC: 1,3-bis(methoxymethyl)-5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of RefChem:1052729
Property Insights of RefChem:1052729
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1052729. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052729. Following Lipinski's Rule of Five, RefChem:1052729 has 0 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 RefChem:1052729?
The CAS number of RefChem:1052729 is 31164-82-6.
What is the molecular formula of RefChem:1052729?
The molecular formula of RefChem:1052729 is C16H26N2O5.
What is the molecular weight of RefChem:1052729?
The molecular weight of RefChem:1052729 is 326.18 g/mol.
Where can I buy RefChem:1052729?
You can request a quote for RefChem:1052729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052729?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.