RefChem:320597
TL;DR: RefChem:320597 (CAS 1907-84-2) is a chemical compound with molecular formula C28H40Cl2N4O3 and molecular weight 550.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;dihydrochloride
Also Known As: Barbituric acid, 1,3-bis(4-(diethylamino)-2-butynyl)-5-ethyl-5-phenyl-, dihydrochloride, 5-Ethyl-1,3-bis(4-diethylamino-2-butynyl)-5-phenylbarbituric acid dihydrochloride, 1,3-Bis(4-(diethylamino)-2-butynyl)-5-ethyl-5-phenylbarbituric acid dihydrochloride, 1,3-Bis[4-(diethylamino)but-2-yn-1-yl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione--hydrogen chloride (1/2), 1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione dihydrochloride
| Molecular Formula | C28H40Cl2N4O3 |
|---|---|
| Molecular Weight | 550.25 g/mol |
| LogP | 3.66 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 550.24774 |
| Heavy Atoms | 37 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 1907-84-2 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)CC#CCN(CC)CC)CC#CCN(CC)CC)C2=CC=CC=C2.Cl.Cl |
| InChIKey | NVAZVWRBXPMQKT-UHFFFAOYSA-N |
Product Overview
RefChem:320597 (CAS 1907-84-2), with molecular formula C28H40Cl2N4O3 and molecular weight 550.25 g/mol. IUPAC: 1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;dihydrochloride.
Chemical Property Profile of RefChem:320597
Property Insights of RefChem:320597
The XLogP value of 3.66 indicates that RefChem:320597 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:320597. Following Lipinski's Rule of Five, RefChem:320597 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:320597?
The CAS number of RefChem:320597 is 1907-84-2.
What is the molecular formula of RefChem:320597?
The molecular formula of RefChem:320597 is C28H40Cl2N4O3.
What is the molecular weight of RefChem:320597?
The molecular weight of RefChem:320597 is 550.25 g/mol.
Where can I buy RefChem:320597?
You can request a quote for RefChem:320597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:320597?
Yes, KEHONG BIO provides custom synthesis services for RefChem:320597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.