RefChem:1070001
TL;DR: RefChem:1070001 (CAS 21330-95-0) is a chemical compound with molecular formula C17H26N2O5 and molecular weight 338.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] propanoate
Also Known As: 5-Butyl-1- barbituricacidpropionate, 5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid propionate (ester), 5-24-09-00133 (Beilstein Handbook Reference), [4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] propanoate, 5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid propionate
| Molecular Formula | C17H26N2O5 |
|---|---|
| Molecular Weight | 338.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.18417 |
| Heavy Atoms | 24 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 21330-95-0 |
|---|---|
| SMILES | CCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)CC |
| InChIKey | CEZDTYIUHMGSER-UHFFFAOYSA-N |
Product Overview
RefChem:1070001 (CAS 21330-95-0), with molecular formula C17H26N2O5 and molecular weight 338.18 g/mol. IUPAC: [4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] propanoate.
Chemical Property Profile of RefChem:1070001
Property Insights of RefChem:1070001
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1070001. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1070001. Following Lipinski's Rule of Five, RefChem:1070001 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 RefChem:1070001?
The CAS number of RefChem:1070001 is 21330-95-0.
What is the molecular formula of RefChem:1070001?
The molecular formula of RefChem:1070001 is C17H26N2O5.
What is the molecular weight of RefChem:1070001?
The molecular weight of RefChem:1070001 is 338.18 g/mol.
Where can I buy RefChem:1070001?
You can request a quote for RefChem:1070001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1070001?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1070001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.