9-辛基二十二烷
TL;DR: 9-辛基二十二烷 (CAS 55319-83-0) is a chemical compound with molecular formula C22H32N2O5 and molecular weight 404.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-辛基二十二烷
1,3-bis(butoxymethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: N,N'-Dibutoxymethyl phenobarbital, Barbituric acid, 1,3-bis(butoxymethyl)-5-ethyl-5-phenyl-, 1,3-Bis(butoxymethyl)-5-ethyl-5-phenylbarbituric acid, 5-24-09-00292 (Beilstein Handbook Reference), 1,3-bis(butoxymethyl)-5-ethyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione
| Molecular Formula | C22H32N2O5 |
|---|---|
| Molecular Weight | 404.23 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 404.2311 |
| Heavy Atoms | 29 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 55319-83-0 |
|---|---|
| SMILES | CCCCOCN1C(=O)C(C(=O)N(C1=O)COCCCC)(CC)C2=CC=CC=C2 |
| InChIKey | AQEFRZWUGXKHCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-辛基二十二烷 (CAS 55319-83-0), with molecular formula C22H32N2O5 and molecular weight 404.23 g/mol. IUPAC: 1,3-bis(butoxymethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 9-辛基二十二烷
Property Insights of 9-辛基二十二烷
The XLogP value of 4.0 indicates that 9-辛基二十二烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-辛基二十二烷. Following Lipinski's Rule of Five, 9-辛基二十二烷 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 9-辛基二十二烷?
The CAS number of 9-辛基二十二烷 is 55319-83-0.
What is the molecular formula of 9-辛基二十二烷?
The molecular formula of 9-辛基二十二烷 is C22H32N2O5.
What is the molecular weight of 9-辛基二十二烷?
The molecular weight of 9-辛基二十二烷 is 404.23 g/mol.
Where can I buy 9-辛基二十二烷?
You can request a quote for 9-辛基二十二烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-辛基二十二烷?
Yes, KEHONG BIO provides custom synthesis services for 9-辛基二十二烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.