AHR-5333 mandelate
TL;DR: AHR-5333 mandelate (CAS 128766-12-1) is a chemical compound with molecular formula C38H41F2NO7 and molecular weight 661.2851 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone;2-hydroxy-2-phenylacetic acid
Also Known As: AHR-5333 mandelate, AHR-5333B, Benzeneacetic acid, alpha-hydroxy-, compd. with 1-(4-(3-(4-(bis(4-fluorophenyl)hydroxymethyl)-1-piperidinyl)propoxy)-3-methoxyphenyl)ethanone (1:1), 1-[4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone;2-hydroxy-2-phenylacetic acid, Ethanone, 1-(4-(3-(4-(bis(4-fluorophenyl)hydroxymethyl)-1-piperidinyl)propoxy)-3-methoxyphenyl)-, alpha-hydroxybenzeneacetate (salt)
Technical Specifications
| Molecular Formula | C38H41F2NO7 |
| Molecular Weight | 661.2851 g/mol |
| XLogP | 6.3976 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 661.2851 Da |
| Heavy Atoms | 48 |
| Complexity | 816.0 |
| SMILES | CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C(C3=CC=C(C=C3)F)(C4=CC=C(C=C4)F)O)OC.C1=CC=C(C=C1)C(C(=O)O)O |
| InChIKey | CFGSQJHZJYGYQO-UHFFFAOYSA-N |
Chemical Property Profile of AHR-5333 mandelate
Property Insights of AHR-5333 mandelate
The XLogP value of 6.3976 indicates that AHR-5333 mandelate 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 AHR-5333 mandelate. Following Lipinski's Rule of Five, AHR-5333 mandelate has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of AHR-5333 mandelate?
The CAS number of AHR-5333 mandelate is 128766-12-1.
What is the molecular formula of AHR-5333 mandelate?
The molecular formula of AHR-5333 mandelate is C38H41F2NO7.
What is the molecular weight of AHR-5333 mandelate?
The molecular weight of AHR-5333 mandelate is 661.2851 g/mol.
Where can I buy AHR-5333 mandelate?
You can request a quote for AHR-5333 mandelate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AHR-5333 mandelate?
Yes, CoreyChem provides custom synthesis services for AHR-5333 mandelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.