5-25-16-00046 (Beilstein Handbook Reference)
TL;DR: 5-25-16-00046 (Beilstein Handbook Reference) (CAS 54871-42-0) is a chemical compound with molecular formula C18H25N3O2 and molecular weight 315.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(diethylamino)ethyl]-3-prop-2-enyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
Also Known As: 5-25-16-00046 (Beilstein Handbook Reference), 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 3-(2-(diethylamino)ethyl)-3-(2-propenyl)-, 3-(2-(Diethylamino)ethyl)-3-(2-propenyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione,3-(2-(diethylamino)ethyl)-3-(2-propenyl), 3-(2-diethylaminoethyl)-3-prop-2-enyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
| Molecular Formula | C18H25N3O2 |
|---|---|
| Molecular Weight | 315.19 g/mol |
| LogP | 2.8716 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.19467 |
| Heavy Atoms | 23 |
| Complexity | 556.68445 |
Chemical Identifiers
| CAS Number | 54871-42-0 |
|---|---|
| SMILES | CCN(CC)CCC1(C(=O)NC2=CC=CC=C2NC1=O)CC=C |
Product Overview
5-25-16-00046 (Beilstein Handbook Reference) (CAS 54871-42-0), with molecular formula C18H25N3O2 and molecular weight 315.19 g/mol. IUPAC: 3-[2-(diethylamino)ethyl]-3-prop-2-enyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione.
Chemical Property Profile of 5-25-16-00046 (Beilstein Handbook Reference)
Property Insights of 5-25-16-00046 (Beilstein Handbook Reference)
The XLogP value of 2.8716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-25-16-00046 (Beilstein Handbook Reference). The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-25-16-00046 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-25-16-00046 (Beilstein Handbook Reference) has 2 hydrogen bond donor(s) and 3 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 5-25-16-00046 (Beilstein Handbook Reference)?
The CAS number of 5-25-16-00046 (Beilstein Handbook Reference) is 54871-42-0.
What is the molecular formula of 5-25-16-00046 (Beilstein Handbook Reference)?
The molecular formula of 5-25-16-00046 (Beilstein Handbook Reference) is C18H25N3O2.
What is the molecular weight of 5-25-16-00046 (Beilstein Handbook Reference)?
The molecular weight of 5-25-16-00046 (Beilstein Handbook Reference) is 315.19 g/mol.
Where can I buy 5-25-16-00046 (Beilstein Handbook Reference)?
You can request a quote for 5-25-16-00046 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-25-16-00046 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-16-00046 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.