1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol
TL;DR: 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol (CAS 40717-57-5) is a chemical compound with molecular formula C16H19ClN2O and molecular weight 290.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5,5-bis(prop-2-enyl)-1,3-diazinan-2-one
Also Known As: Tetrahydro-1-(p-chlorophenyl)-5,5-di-2-propenyl-2(1H)-pyrimidinone, 1-(4-chlorophenyl)-5,5-di(prop-2-en-1-yl)tetrahydropyrimidin-2(1h)-one, 2(1H)-Pyrimidinone, tetrahydro-1-(p-chlorophenyl)-5,5-di-2-propenyl-, 1-(4-chlorophenyl)-5,5-bis(prop-2-enyl)-1,3-diazinan-2-one, 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol
| Molecular Formula | C16H19ClN2O |
|---|---|
| Molecular Weight | 290.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.1186 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 40717-57-5 |
|---|---|
| SMILES | C=CCC1(CNC(=O)N(C1)C2=CC=C(C=C2)Cl)CC=C |
| InChIKey | XXECLDGAFVXFPR-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol (CAS 40717-57-5), with molecular formula C16H19ClN2O and molecular weight 290.12 g/mol. IUPAC: 1-(4-chlorophenyl)-5,5-bis(prop-2-enyl)-1,3-diazinan-2-one.
Chemical Property Profile of 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol
Property Insights of 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol
The XLogP value of 3.8 indicates that 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol has 1 hydrogen bond donor(s) and 1 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-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol?
The CAS number of 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol is 40717-57-5.
What is the molecular formula of 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol?
The molecular formula of 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol is C16H19ClN2O.
What is the molecular weight of 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol?
The molecular weight of 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol is 290.12 g/mol.
Where can I buy 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol?
You can request a quote for 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-5,5-di(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.