5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile
TL;DR: 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile (CAS 87352-02-1) is a chemical compound with molecular formula C19H18ClN3O and molecular weight 339.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1,3-dimethyl-4-oxo-2,6-diphenyl-1,3-diazinane-5-carbonitrile
Also Known As: 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile, 5-chloro-1,3-dimethyl-4-oxo-2,6-diphenyl-1,3-diazinane-5-carbonitrile, 5-chloro-1,3-dimethyl-4-oxo-2,6-diphenyl-1,3-diazinane-5-car, 5-chloro-1,3-dimethyl-4-oxo-2,6-diphenyl-hexahydropyrimidine-5-carbonitrile
| Molecular Formula | C19H18ClN3O |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.11383 |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 87352-02-1 |
|---|---|
| SMILES | CN1C(C(C(=O)N(C1C2=CC=CC=C2)C)(C#N)Cl)C3=CC=CC=C3 |
| InChIKey | XIJSAIBUDIFEMO-UHFFFAOYSA-N |
Product Overview
5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile (CAS 87352-02-1), with molecular formula C19H18ClN3O and molecular weight 339.11 g/mol. IUPAC: 5-chloro-1,3-dimethyl-4-oxo-2,6-diphenyl-1,3-diazinane-5-carbonitrile.
Chemical Property Profile of 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile
Property Insights of 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile
The XLogP value of 3.1 indicates that 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.3 Ų, 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile 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 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile?
The CAS number of 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile is 87352-02-1.
What is the molecular formula of 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile?
The molecular formula of 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile is C19H18ClN3O.
What is the molecular weight of 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile?
The molecular weight of 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile is 339.11 g/mol.
Where can I buy 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile?
You can request a quote for 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.