RefChem:595214
TL;DR: RefChem:595214 (CAS 76811-96-6) is a chemical compound with molecular formula C34H41NO4 and molecular weight 527.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate
Also Known As: J2.304.853A, Benzeneacetic acid, 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethyl-, ethyl ester, Ethyl 4--alpha,alpha-dimethylbenzeneacetate hydrochloride, ethyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate, ethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetate
| Molecular Formula | C34H41NO4 |
|---|---|
| Molecular Weight | 527.30 g/mol |
| LogP | 6.1383 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 527.3036 |
| Heavy Atoms | 39 |
| Complexity | 1173.5697 |
Chemical Identifiers
| CAS Number | 76811-96-6 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O |
Product Overview
RefChem:595214 (CAS 76811-96-6), with molecular formula C34H41NO4 and molecular weight 527.30 g/mol. IUPAC: ethyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate.
Chemical Property Profile of RefChem:595214
Property Insights of RefChem:595214
The XLogP value of 6.1383 indicates that RefChem:595214 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:595214. Following Lipinski's Rule of Five, RefChem:595214 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 RefChem:595214?
The CAS number of RefChem:595214 is 76811-96-6.
What is the molecular formula of RefChem:595214?
The molecular formula of RefChem:595214 is C34H41NO4.
What is the molecular weight of RefChem:595214?
The molecular weight of RefChem:595214 is 527.30 g/mol.
Where can I buy RefChem:595214?
You can request a quote for RefChem:595214 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:595214?
Yes, KEHONG BIO provides custom synthesis services for RefChem:595214 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.