M.G. 16231
TL;DR: M.G. 16231 (CAS 109758-29-4) is a chemical compound with molecular formula C33H38ClN3O5 and molecular weight 591.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-6-(4-chlorophenyl)piperidin-2-one;oxalic acid
Also Known As: M.G. 16231, C31H36ClN3O.C2H2O4.1/2H2O, 6-(p-Chlorophenyl)-1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-2-piperidinone oxalate, 2-Piperidinone, 6-(p-chlorophenyl)-1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-, ethanedioate, hemihydrate, C31-H36-Cl-N3-O.C2-H2-O4.1/2H2-O
| Molecular Formula | C33H38ClN3O5 |
|---|---|
| Molecular Weight | 591.25 g/mol |
| LogP | 5.3465 |
| Topological Polar Surface Area | 101.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 591.25 |
| Heavy Atoms | 42 |
| Complexity | 1246.781 |
Chemical Identifiers
| CAS Number | 109758-29-4 |
|---|---|
| SMILES | C1CC(N(C(=O)C1)CCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl.C(=O)(C(=O)O)O |
Product Overview
M.G. 16231 (CAS 109758-29-4), with molecular formula C33H38ClN3O5 and molecular weight 591.25 g/mol. IUPAC: 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-6-(4-chlorophenyl)piperidin-2-one;oxalic acid.
Chemical Property Profile of M.G. 16231
Property Insights of M.G. 16231
The XLogP value of 5.3465 indicates that M.G. 16231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.39 Ų falls within the moderate polarity range, balancing permeability and solubility for M.G. 16231. Following Lipinski's Rule of Five, M.G. 16231 has 2 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 M.G. 16231?
The CAS number of M.G. 16231 is 109758-29-4.
What is the molecular formula of M.G. 16231?
The molecular formula of M.G. 16231 is C33H38ClN3O5.
What is the molecular weight of M.G. 16231?
The molecular weight of M.G. 16231 is 591.25 g/mol.
Where can I buy M.G. 16231?
You can request a quote for M.G. 16231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for M.G. 16231?
Yes, KEHONG BIO provides custom synthesis services for M.G. 16231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.