5-烯丙基-1-苯基巴比妥酸
TL;DR: 5-烯丙基-1-苯基巴比妥酸 (CAS 786-56-1) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-烯丙基-1-苯基巴比妥酸
1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Allyl-1-phenylbarbituric acid, 5-Allyl-1-phenylbarbituricacid, BARBITURIC ACID, 5-ALLYL-1-PHENYL-, 1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, 5-Allyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 786-56-1 |
|---|---|
| SMILES | C=CCC1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2 |
| InChIKey | MHZWCBPOTIWXCV-UHFFFAOYSA-N |
Product Overview
5-烯丙基-1-苯基巴比妥酸 (CAS 786-56-1), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-烯丙基-1-苯基巴比妥酸
Property Insights of 5-烯丙基-1-苯基巴比妥酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-烯丙基-1-苯基巴比妥酸. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-烯丙基-1-苯基巴比妥酸. Following Lipinski's Rule of Five, 5-烯丙基-1-苯基巴比妥酸 has 1 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-烯丙基-1-苯基巴比妥酸?
The CAS number of 5-烯丙基-1-苯基巴比妥酸 is 786-56-1.
What is the molecular formula of 5-烯丙基-1-苯基巴比妥酸?
The molecular formula of 5-烯丙基-1-苯基巴比妥酸 is C13H12N2O3.
What is the molecular weight of 5-烯丙基-1-苯基巴比妥酸?
The molecular weight of 5-烯丙基-1-苯基巴比妥酸 is 244.08 g/mol.
Where can I buy 5-烯丙基-1-苯基巴比妥酸?
You can request a quote for 5-烯丙基-1-苯基巴比妥酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-烯丙基-1-苯基巴比妥酸?
Yes, KEHONG BIO provides custom synthesis services for 5-烯丙基-1-苯基巴比妥酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.