5-环己基-1,3-二苯基巴比妥酸
TL;DR: 5-环己基-1,3-二苯基巴比妥酸 (CAS 1247-87-6) is a chemical compound with molecular formula C22H22N2O3 and molecular weight 362.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-环己基-1,3-二苯基巴比妥酸
5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Cyclohexyl-1,3-diphenylbarbituric acid, BARBITURIC ACID, 5-CYCLOHEXYL-1,3-DIPHENYL-, 5-Cyclohexyl-1,3-diphenylpyrimidinetrione, 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione, 1,3-Diphenyl-5-cyclohexyl-barbitursaeure
| Molecular Formula | C22H22N2O3 |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.16306 |
| Heavy Atoms | 27 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 1247-87-6 |
|---|---|
| SMILES | C1CCC(CC1)C2C(=O)N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | OODLKCKQFLUWOT-UHFFFAOYSA-N |
Product Overview
5-环己基-1,3-二苯基巴比妥酸 (CAS 1247-87-6), with molecular formula C22H22N2O3 and molecular weight 362.16 g/mol. IUPAC: 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-环己基-1,3-二苯基巴比妥酸
Property Insights of 5-环己基-1,3-二苯基巴比妥酸
The XLogP value of 5.1 indicates that 5-环己基-1,3-二苯基巴比妥酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, 5-环己基-1,3-二苯基巴比妥酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-环己基-1,3-二苯基巴比妥酸 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-环己基-1,3-二苯基巴比妥酸?
The CAS number of 5-环己基-1,3-二苯基巴比妥酸 is 1247-87-6.
What is the molecular formula of 5-环己基-1,3-二苯基巴比妥酸?
The molecular formula of 5-环己基-1,3-二苯基巴比妥酸 is C22H22N2O3.
What is the molecular weight of 5-环己基-1,3-二苯基巴比妥酸?
The molecular weight of 5-环己基-1,3-二苯基巴比妥酸 is 362.16 g/mol.
Where can I buy 5-环己基-1,3-二苯基巴比妥酸?
You can request a quote for 5-环己基-1,3-二苯基巴比妥酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-环己基-1,3-二苯基巴比妥酸?
Yes, KEHONG BIO provides custom synthesis services for 5-环己基-1,3-二苯基巴比妥酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.