Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)-
TL;DR: Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)- (CAS 101756-49-4) is a chemical compound with molecular formula C18H25NO3 and molecular weight 303.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) (Z)-2-hydroxy-2-phenylhex-3-enoate
Also Known As: 1-Methyl-4-piperidyl phenyl(1-cis-butenyl)glycolate, Z-alpha-(1-Butenyl)mandelic acid 1-methyl-4-piperidyl ester, MANDELIC ACID, alpha-(1-BUTENYL)-, 1-METHYL-4-PIPERIDYL ESTER, (Z)-, (1-methylpiperidin-4-yl) (Z)-2-hydroxy-2-phenylhex-3-enoate, 1-METHYLPIPERIDIN-4-YL (3Z)-2-HYDROXY-2-PHENYLHEX-3-ENOATE
| Molecular Formula | C18H25NO3 |
|---|---|
| Molecular Weight | 303.18 g/mol |
| LogP | 2.4778 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.18344 |
| Heavy Atoms | 22 |
| Complexity | 506.32336 |
Chemical Identifiers
| CAS Number | 101756-49-4 |
|---|---|
| SMILES | CC/C=C\C(C1=CC=CC=C1)(C(=O)OC2CCN(CC2)C)O |
Product Overview
Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)- (CAS 101756-49-4), with molecular formula C18H25NO3 and molecular weight 303.18 g/mol. IUPAC: (1-methylpiperidin-4-yl) (Z)-2-hydroxy-2-phenylhex-3-enoate.
Chemical Property Profile of Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)-
Property Insights of Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)-
The XLogP value of 2.4778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)-. With a topological polar surface area (TPSA) of 49.77 Ų, Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)- 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-butenyl)-, 1-methyl-4-piperidyl ester, (Z)-?
The CAS number of Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)- is 101756-49-4.
What is the molecular formula of Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)-?
The molecular formula of Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)- is C18H25NO3.
What is the molecular weight of Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)-?
The molecular weight of Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)- is 303.18 g/mol.
Where can I buy Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)-?
You can request a quote for Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)- 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-butenyl)-, 1-methyl-4-piperidyl ester, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.