RefChem:1049272
TL;DR: RefChem:1049272 (CAS 101756-60-9) 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.
(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate
Also Known As: Mandelic acid, alpha-(1-cyclopentenyl)-, (1-methyl-1,2,5,6-tetrahydro-3-pyridyl)methyl ester, 3-(1-Methyl-1,2,5,6-tetrahydropyridine)methyl phenyl(1-cyclopentenyl)glycolate, (1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl (cyclopent-1-en-1-yl)(hydroxy)phenylacetate, (1-Methyl-3,6-dihydro-2H-pyridin-5-yl)methyl2-cyclopenten-1-yl-2-hydroxy-2-phenylacetate, (1-methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl cyclopent-1-en-1-yl(hydroxy)phenylacetate
| Molecular Formula | C20H25NO3 |
|---|---|
| Molecular Weight | 327.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.18344 |
| Heavy Atoms | 24 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 101756-60-9 |
|---|---|
| SMILES | CN1CCC=C(C1)COC(=O)C(C2=CCCC2)(C3=CC=CC=C3)O |
| InChIKey | UIVUBIIWSFBDLD-UHFFFAOYSA-N |
Product Overview
RefChem:1049272 (CAS 101756-60-9), with molecular formula C20H25NO3 and molecular weight 327.18 g/mol. IUPAC: (1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate.
Chemical Property Profile of RefChem:1049272
Property Insights of RefChem:1049272
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1049272. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:1049272 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049272 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 RefChem:1049272?
The CAS number of RefChem:1049272 is 101756-60-9.
What is the molecular formula of RefChem:1049272?
The molecular formula of RefChem:1049272 is C20H25NO3.
What is the molecular weight of RefChem:1049272?
The molecular weight of RefChem:1049272 is 327.18 g/mol.
Where can I buy RefChem:1049272?
You can request a quote for RefChem:1049272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049272?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.