RefChem:1093962
TL;DR: RefChem:1093962 (CAS 4059-26-1) is a chemical compound with molecular formula C23H29NO5 and molecular weight 399.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(2-methylphenyl)-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol;oxalic acid
Also Known As: beta-Methyl-alpha-phenyl-alpha-o-tolyl-1-pyrrolidinepropanol oxalate, 1-Pyrrolidinepropanol, beta-methyl-alpha-phenyl-alpha-o-tolyl-, oxalate (1:1), Oxalic acid--2-methyl-1-(2-methylphenyl)-1-phenyl-3-(pyrrolidin-1-yl)propan-1-ol (1/1), 2-methyl-1-(2-methylphenyl)-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol; oxalic acid, RefChem:1093962
| Molecular Formula | C23H29NO5 |
|---|---|
| Molecular Weight | 399.20 g/mol |
| LogP | 3.11842 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.20456 |
| Heavy Atoms | 29 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 4059-26-1 |
|---|---|
| SMILES | CC1=CC=CC=C1C(C2=CC=CC=C2)(C(C)CN3CCCC3)O.C(=O)(C(=O)O)O |
| InChIKey | OGSMZLVFSJQENN-UHFFFAOYSA-N |
Product Overview
RefChem:1093962 (CAS 4059-26-1), with molecular formula C23H29NO5 and molecular weight 399.20 g/mol. IUPAC: 2-methyl-1-(2-methylphenyl)-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol;oxalic acid.
Chemical Property Profile of RefChem:1093962
Property Insights of RefChem:1093962
The XLogP value of 3.11842 indicates that RefChem:1093962 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1093962. Following Lipinski's Rule of Five, RefChem:1093962 has 3 hydrogen bond donor(s) and 6 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 RefChem:1093962?
The CAS number of RefChem:1093962 is 4059-26-1.
What is the molecular formula of RefChem:1093962?
The molecular formula of RefChem:1093962 is C23H29NO5.
What is the molecular weight of RefChem:1093962?
The molecular weight of RefChem:1093962 is 399.20 g/mol.
Where can I buy RefChem:1093962?
You can request a quote for RefChem:1093962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1093962?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1093962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.