4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde
TL;DR: 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde (CAS 861207-46-7) is a chemical compound with molecular formula C17H18ClN3O and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzylpiperidin-1-yl)-6-chloropyrimidine-5-carbaldehyde
Also Known As: 4-(4-benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde, 4-(4-benzylpiperidin-1-yl)-6-chloropyrimidine-5-carbaldehyde, 1X-0806
| Molecular Formula | C17H18ClN3O |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 3.4016 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.11383 |
| Heavy Atoms | 22 |
| Complexity | 639.60724 |
Chemical Identifiers
| CAS Number | 861207-46-7 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)Cl)C=O |
Product Overview
4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde (CAS 861207-46-7), with molecular formula C17H18ClN3O and molecular weight 315.11 g/mol. IUPAC: 4-(4-benzylpiperidin-1-yl)-6-chloropyrimidine-5-carbaldehyde.
Chemical Property Profile of 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde
Property Insights of 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde
The XLogP value of 3.4016 indicates that 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde has 0 hydrogen bond donor(s) and 4 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 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde?
The CAS number of 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde is 861207-46-7.
What is the molecular formula of 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde?
The molecular formula of 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde is C17H18ClN3O.
What is the molecular weight of 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde?
The molecular weight of 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde is 315.11 g/mol.
Where can I buy 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde?
You can request a quote for 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Benzylpiperidino)-6-chloro-5-pyrimidinecarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.