1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE
TL;DR: 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE (CAS 86236-77-3) is a chemical compound with molecular formula C19H21N3 and molecular weight 291.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibenzyl-1,3-diazinane-5-carbonitrile
Also Known As: 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE, Maybridge1_003279, 2-Fluorophenylmethylsulfone, 1,3-dibenzyl-1,3-diazinane-5-carbonitrile, 1,3-dibenzylhexahydropyrimidine-5-carbonitrile
| Molecular Formula | C19H21N3 |
|---|---|
| Molecular Weight | 291.17 g/mol |
| LogP | 3.10168 |
| Topological Polar Surface Area | 30.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.17355 |
| Heavy Atoms | 22 |
| Complexity | 568.6335 |
Chemical Identifiers
| CAS Number | 86236-77-3 |
|---|---|
| SMILES | C1C(CN(CN1CC2=CC=CC=C2)CC3=CC=CC=C3)C#N |
Product Overview
1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE (CAS 86236-77-3), with molecular formula C19H21N3 and molecular weight 291.17 g/mol. IUPAC: 1,3-dibenzyl-1,3-diazinane-5-carbonitrile.
Chemical Property Profile of 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE
Property Insights of 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE
The XLogP value of 3.10168 indicates that 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.27 Ų, 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE has 0 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 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE?
The CAS number of 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE is 86236-77-3.
What is the molecular formula of 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE?
The molecular formula of 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE is C19H21N3.
What is the molecular weight of 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE?
The molecular weight of 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE is 291.17 g/mol.
Where can I buy 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE?
You can request a quote for 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE?
Yes, KEHONG BIO provides custom synthesis services for 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.