RefChem:1054507
TL;DR: RefChem:1054507 (CAS 64038-11-5) is a chemical compound with molecular formula C20H27N3O6 and molecular weight 405.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-(2-methylpropoxy)propan-2-yl] carbamate
Also Known As: Barbituric acid, 5-ethyl-1-(2-hydroxy-3-isobutoxypropyl)-5-phenyl-, carbamate (ester), 1-[2-3-isobutyloxypropyl]-5-ethyl-5-phenylbarbituricacid, [1-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-(2-methylpropoxy)propan-2-yl] carbamate, 1-[2- -3-isobutyloxypropyl]-5-ethyl-5-phenylbarbituricacid, 1-(5-Ethyl-4-hydroxy-2,6-dioxo-5-phenyl-5,6-dihydropyrimidin-1(2H)-yl)-3-(2-methylpropoxy)propan-2-yl hydrogen carbonimidate
| Molecular Formula | C20H27N3O6 |
|---|---|
| Molecular Weight | 405.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 405.18997 |
| Heavy Atoms | 29 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 64038-11-5 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)CC(COCC(C)C)OC(=O)N)C2=CC=CC=C2 |
| InChIKey | SFZKMHDKOKGUPG-UHFFFAOYSA-N |
Product Overview
RefChem:1054507 (CAS 64038-11-5), with molecular formula C20H27N3O6 and molecular weight 405.19 g/mol. IUPAC: [1-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-(2-methylpropoxy)propan-2-yl] carbamate.
Chemical Property Profile of RefChem:1054507
Property Insights of RefChem:1054507
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054507. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054507. Following Lipinski's Rule of Five, RefChem:1054507 has 2 hydrogen bond donor(s) and 6 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:1054507?
The CAS number of RefChem:1054507 is 64038-11-5.
What is the molecular formula of RefChem:1054507?
The molecular formula of RefChem:1054507 is C20H27N3O6.
What is the molecular weight of RefChem:1054507?
The molecular weight of RefChem:1054507 is 405.19 g/mol.
Where can I buy RefChem:1054507?
You can request a quote for RefChem:1054507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054507?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.