McN-481
TL;DR: McN-481 (CAS 3625-18-1) is a chemical compound with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
McN-481
5-ethyl-5-(4-methylpent-3-en-2-yl)-1,3-diazinane-2,4,6-trione
Also Known As: Mcneil 481, 5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid, BARBITURIC ACID, 5-(1,3-DIMETHYL-2-BUTENYL)-5-ETHYL-, Barbituric acid,3-dimethyl-2-butenyl)-5-ethyl-, 5-Ethyl-5-(1,3-dimethyl-2-butenyl)barbituric acid
| Molecular Formula | C12H18N2O3 |
|---|---|
| Molecular Weight | 238.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.13174 |
| Heavy Atoms | 17 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 3625-18-1 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C(C)C=C(C)C |
| InChIKey | VELIJARCYHAWJO-UHFFFAOYSA-N |
Product Overview
McN-481 (CAS 3625-18-1), with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol. IUPAC: 5-ethyl-5-(4-methylpent-3-en-2-yl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of McN-481
Property Insights of McN-481
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for McN-481. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for McN-481. Following Lipinski's Rule of Five, Chemical Compound (C12H18N2O3) 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 Chemical Compound (C12H18N2O3)?
The CAS number of Chemical Compound (C12H18N2O3) is 3625-18-1.
What is the molecular formula of Chemical Compound (C12H18N2O3)?
The molecular formula of Chemical Compound (C12H18N2O3) is C12H18N2O3.
What is the molecular weight of Chemical Compound (C12H18N2O3)?
The molecular weight of Chemical Compound (C12H18N2O3) is 238.13 g/mol.
Where can I buy Chemical Compound (C12H18N2O3)?
You can request a quote for Chemical Compound (C12H18N2O3) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chemical Compound (C12H18N2O3)?
Yes, KEHONG BIO provides custom synthesis services for Chemical Compound (C12H18N2O3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.