RefChem:351923
TL;DR: RefChem:351923 (CAS 101710-84-3) is a chemical compound with molecular formula C29H39NO6S and molecular weight 529.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;4-methylbenzenesulfonate
Also Known As: 9-Methyl-3-alpha-granatanyl phenylcyclopentylglycolate-p-toluene-sulfonate, Mandelic acid, alpha-cyclopentyl-, 9-methyl-9-azabicyclo(3.3.1)non-3-alpha-yl ester, p-toluenesulfonate, (9-Methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;4-methylbenzenesulfonate, (9-Methyl-9-azoniabicyclo[3.3.1]nonan-7-yl)2-cyclopentyl-2-hydroxy-2-phenylacetate; 4-methylbenzenesulfonate, 3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-9-methyl-9-azoniabicyclo[3.3.1]nonane 4-methylbenzenesulfonate
| Molecular Formula | C29H39NO6S |
|---|---|
| Molecular Weight | 529.25 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 529.2498 |
| Heavy Atoms | 37 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 101710-84-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+]1C2CCCC1CC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O |
| InChIKey | CEIUXLKAIQCBFX-UHFFFAOYSA-N |
Product Overview
RefChem:351923 (CAS 101710-84-3), with molecular formula C29H39NO6S and molecular weight 529.25 g/mol. IUPAC: (9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:351923
Property Insights of RefChem:351923
The XLogP value of 3.1 indicates that RefChem:351923 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:351923. Following Lipinski's Rule of Five, RefChem:351923 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:351923?
The CAS number of RefChem:351923 is 101710-84-3.
What is the molecular formula of RefChem:351923?
The molecular formula of RefChem:351923 is C29H39NO6S.
What is the molecular weight of RefChem:351923?
The molecular weight of RefChem:351923 is 529.25 g/mol.
Where can I buy RefChem:351923?
You can request a quote for RefChem:351923 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:351923?
Yes, KEHONG BIO provides custom synthesis services for RefChem:351923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.