RefChem:1054508
TL;DR: RefChem:1054508 (CAS 64038-13-7) is a chemical compound with molecular formula C17H21N3O6 and molecular weight 363.14 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-methoxypropan-2-yl] carbamate
Also Known As: 1-[2-3-methoxypropyl]-5-ethyl-5-phenylbarbituricacid, Barbituric acid, 5-ethyl-1-(2-hydroxy-3-methoxypropyl)-5-phenyl-, carbamate (ester), 1-[2- -3-methoxypropyl]-5-ethyl-5-phenylbarbituricacid, [1-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-methoxypropan-2-yl] carbamate, 1-(5-Ethyl-4-hydroxy-2,6-dioxo-5-phenyl-5,6-dihydropyrimidin-1(2H)-yl)-3-methoxypropan-2-yl hydrogen carbonimidate
| Molecular Formula | C17H21N3O6 |
|---|---|
| Molecular Weight | 363.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 363.14304 |
| Heavy Atoms | 26 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 64038-13-7 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)CC(COC)OC(=O)N)C2=CC=CC=C2 |
| InChIKey | MQQPFLVCCBPWTI-UHFFFAOYSA-N |
Product Overview
RefChem:1054508 (CAS 64038-13-7), with molecular formula C17H21N3O6 and molecular weight 363.14 g/mol. IUPAC: [1-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-methoxypropan-2-yl] carbamate.
Chemical Property Profile of RefChem:1054508
Property Insights of RefChem:1054508
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054508. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1054508. Following Lipinski's Rule of Five, RefChem:1054508 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:1054508?
The CAS number of RefChem:1054508 is 64038-13-7.
What is the molecular formula of RefChem:1054508?
The molecular formula of RefChem:1054508 is C17H21N3O6.
What is the molecular weight of RefChem:1054508?
The molecular weight of RefChem:1054508 is 363.14 g/mol.
Where can I buy RefChem:1054508?
You can request a quote for RefChem:1054508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054508?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.