Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline
TL;DR: Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline (CAS 102071-23-8) is a chemical compound with molecular formula C27H32ClN5O3 and molecular weight 509.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzhydryloxymethyl)-1-methylpiperidine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: P 368, 3-(Diphenylmethoxymethyl)-1-methylpiperidine chlorotheophylline, Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline, 3-(benzhydryloxymethyl)-1-methylpiperidine; 8-chloro-1,3-dimethyl-7H-purine-2,6-dione, 1H-Purine-2,6-dione, 8-chloro-3,9-dihydro-1,3-dimethyl-, compd. with 3-[(diphenylmethoxy)methyl]-1-methylpiperidine (1:1)
| Molecular Formula | C27H32ClN5O3 |
|---|---|
| Molecular Weight | 509.22 g/mol |
| LogP | 3.7481 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.21936 |
| Heavy Atoms | 36 |
| Complexity | 1358.6992 |
Chemical Identifiers
| CAS Number | 102071-23-8 |
|---|---|
| SMILES | CN1CCCC(C1)COC(C2=CC=CC=C2)C3=CC=CC=C3.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl |
Product Overview
Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline (CAS 102071-23-8), with molecular formula C27H32ClN5O3 and molecular weight 509.22 g/mol. IUPAC: 3-(benzhydryloxymethyl)-1-methylpiperidine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline
Property Insights of Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline
The XLogP value of 3.7481 indicates that Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline. Following Lipinski's Rule of Five, Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline?
The CAS number of Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline is 102071-23-8.
What is the molecular formula of Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline?
The molecular formula of Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline is C27H32ClN5O3.
What is the molecular weight of Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline?
The molecular weight of Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline is 509.22 g/mol.
Where can I buy Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline?
You can request a quote for Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline?
Yes, KEHONG BIO provides custom synthesis services for Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, chlorotheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.