Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)-
TL;DR: Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)- (CAS 101711-08-4) is a chemical compound with molecular formula C21H25NO3 and molecular weight 339.18 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-2-yl) (2R)-2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
Also Known As: L-(+)-2-alpha-Tropanyl phenyl(3-methyl-3-buten-1-ynyl)glycolate, MANDELIC ACID, alpha-(3-METHYL-1-BUTYN-3-ENYL)-, 2-alpha-TROPANYL ESTER, L-(+)-, 8-methyl-8-azabicyclo[3.2.1]oct-2-yl(2r)-2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate, 8-Methyl-8-azabicyclo[3.2.1]octan-2-yl 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate, (8-methyl-8-azabicyclo[3.2.1]octan-2-yl)(2R)-2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
| Molecular Formula | C21H25NO3 |
|---|---|
| Molecular Weight | 339.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.18344 |
| Heavy Atoms | 25 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 101711-08-4 |
|---|---|
| SMILES | CC(=C)C#C[C@](C1=CC=CC=C1)(C(=O)OC2CCC3CCC2N3C)O |
| InChIKey | UFZHUZNAQSRPME-GJFGYCNFSA-N |
Product Overview
Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)- (CAS 101711-08-4), with molecular formula C21H25NO3 and molecular weight 339.18 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-2-yl) (2R)-2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate.
Chemical Property Profile of Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)-
Property Insights of Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)-
The XLogP value of 4.0 indicates that Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)- 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-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)- 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-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)-?
The CAS number of Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)- is 101711-08-4.
What is the molecular formula of Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)-?
The molecular formula of Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)- is C21H25NO3.
What is the molecular weight of Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)-?
The molecular weight of Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)- is 339.18 g/mol.
Where can I buy Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)-?
You can request a quote for Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)- 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-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)-?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.