Barbituric acid, 5-allyl-5-(2-bromopropyl)-
TL;DR: Barbituric acid, 5-allyl-5-(2-bromopropyl)- (CAS 7548-67-6) is a chemical compound with molecular formula C10H13BrN2O3 and molecular weight 288.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Allyl-5-(2-bromopropyl)barbituric acid, BARBITURIC ACID, 5-ALLYL-5-(2-BROMOPROPYL)-, 5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, 5-(2-Bromopropyl)-4,6-dihydroxy-5-(prop-2-en-1-yl)pyrimidin-2(5H)-one, RefChem:1077617
| Molecular Formula | C10H13BrN2O3 |
|---|---|
| Molecular Weight | 288.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.01096 |
| Heavy Atoms | 16 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 7548-67-6 |
|---|---|
| SMILES | CC(CC1(C(=O)NC(=O)NC1=O)CC=C)Br |
| InChIKey | BAKVDLKQRKBRFZ-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-allyl-5-(2-bromopropyl)- (CAS 7548-67-6), with molecular formula C10H13BrN2O3 and molecular weight 288.01 g/mol. IUPAC: 5-(2-bromopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-allyl-5-(2-bromopropyl)-
Property Insights of Barbituric acid, 5-allyl-5-(2-bromopropyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-allyl-5-(2-bromopropyl)-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-allyl-5-(2-bromopropyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-allyl-5-(2-bromopropyl)- 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 Barbituric acid, 5-allyl-5-(2-bromopropyl)-?
The CAS number of Barbituric acid, 5-allyl-5-(2-bromopropyl)- is 7548-67-6.
What is the molecular formula of Barbituric acid, 5-allyl-5-(2-bromopropyl)-?
The molecular formula of Barbituric acid, 5-allyl-5-(2-bromopropyl)- is C10H13BrN2O3.
What is the molecular weight of Barbituric acid, 5-allyl-5-(2-bromopropyl)-?
The molecular weight of Barbituric acid, 5-allyl-5-(2-bromopropyl)- is 288.01 g/mol.
Where can I buy Barbituric acid, 5-allyl-5-(2-bromopropyl)-?
You can request a quote for Barbituric acid, 5-allyl-5-(2-bromopropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 5-allyl-5-(2-bromopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-allyl-5-(2-bromopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.