Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester
TL;DR: Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester (CAS 101756-52-9) is a chemical compound with molecular formula C20H25NO3 and molecular weight 327.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylhex-3-ynoate
Also Known As: 3-alpha-Tropanyl phenyl(1-butynyl)glycolate, alpha-(1-Butynyl)mandelic acid 3-alpha-tropanyl ester, NCI60_022752, MANDELIC ACID, alpha-(1-BUTYNYL)-, 3-alpha-TROPANYL ESTER, 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 2-hydroxy-2-phenyl-3-hexynoate
| Molecular Formula | C20H25NO3 |
|---|---|
| Molecular Weight | 327.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.18344 |
| Heavy Atoms | 24 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 101756-52-9 |
|---|---|
| SMILES | CCC#CC(C1=CC=CC=C1)(C(=O)OC2CC3CCC(C2)N3C)O |
| InChIKey | CPSOCUUSNHHZOV-UHFFFAOYSA-N |
Product Overview
Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester (CAS 101756-52-9), with molecular formula C20H25NO3 and molecular weight 327.18 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylhex-3-ynoate.
Chemical Property Profile of Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester
Property Insights of Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester
The XLogP value of 3.4 indicates that Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester has 1 hydrogen bond donor(s) and 4 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 Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester?
The CAS number of Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester is 101756-52-9.
What is the molecular formula of Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester?
The molecular formula of Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester is C20H25NO3.
What is the molecular weight of Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester?
The molecular weight of Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester is 327.18 g/mol.
Where can I buy Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester?
You can request a quote for Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, alpha-(1-butynyl)-, 3-alpha-tropanyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.