RefChem:295634
TL;DR: RefChem:295634 (CAS 70436-64-5) is a chemical compound with molecular formula C30H47N3O8 and molecular weight 577.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-methylpropyl)-3,5-bis(morpholin-4-ylmethyl)-4-phenylpiperidine-4-carboxylate;oxalic acid
Also Known As: Isonipecotic acid, 3,5-bis(morpholinomethyl)-1-(isobutyl)-4-phenyl-, ethyl ester, oxalate, 4-Piperidinecarboxylic acid, 3,5-bis(4-morpholinylmethyl)-4-phenyl-1-(2-methylpropyl)-, ethyl ester, ethanedioate, ethyl 1-(2-methylpropyl)-3,5-bis(morpholin-4-ylmethyl)-4-phenylpiperidine-4-carboxylate; oxalic acid, Oxalic acid--ethyl 1-(2-methylpropyl)-3,5-bis[(morpholin-4-yl)methyl]-4-phenylpiperidine-4-carboxylate (1/1), RefChem:295634
| Molecular Formula | C30H47N3O8 |
|---|---|
| Molecular Weight | 577.34 g/mol |
| LogP | 1.5115 |
| Topological Polar Surface Area | 129.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 577.3363 |
| Heavy Atoms | 41 |
| Complexity | 921.74286 |
Chemical Identifiers
| CAS Number | 70436-64-5 |
|---|---|
| SMILES | CCOC(=O)C1(C(CN(CC1CN2CCOCC2)CC(C)C)CN3CCOCC3)C4=CC=CC=C4.C(=O)(C(=O)O)O |
Product Overview
RefChem:295634 (CAS 70436-64-5), with molecular formula C30H47N3O8 and molecular weight 577.34 g/mol. IUPAC: ethyl 1-(2-methylpropyl)-3,5-bis(morpholin-4-ylmethyl)-4-phenylpiperidine-4-carboxylate;oxalic acid.
Chemical Property Profile of RefChem:295634
Property Insights of RefChem:295634
The XLogP value of 1.5115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:295634. The TPSA of 129.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:295634. Following Lipinski's Rule of Five, RefChem:295634 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:295634?
The CAS number of RefChem:295634 is 70436-64-5.
What is the molecular formula of RefChem:295634?
The molecular formula of RefChem:295634 is C30H47N3O8.
What is the molecular weight of RefChem:295634?
The molecular weight of RefChem:295634 is 577.34 g/mol.
Where can I buy RefChem:295634?
You can request a quote for RefChem:295634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:295634?
Yes, KEHONG BIO provides custom synthesis services for RefChem:295634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.