RefChem:1059403
TL;DR: RefChem:1059403 (CAS 63938-86-3) is a chemical compound with molecular formula C20H29NO8 and molecular weight 411.18933 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dihydroxybutanedioic acid;(1,3-dimethyl-4-phenylpiperidin-4-yl) propanoate
Also Known As: KST-1B6968, Propionic acid, 1,3-dimethyl-4-phenyl-4-piperidyl ester, tartrate, (+)-, 1,3-dimethyl-4-phenylpiperidin-4-yl propanoate 2,3-dihydroxybutanedioate(1:1), d-beta-1,3-Dimethyl-4-phenyl-4-propionoxypiperidine d-acid tartrate, 4-Piperidinol, 1,3-dimethyl-4-phenyl-, propionate (ester), tartrate, (+)-
Technical Specifications
| Molecular Formula | C20H29NO8 |
| Molecular Weight | 411.18933 g/mol |
| XLogP | 0.68 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.18933 Da |
| Heavy Atoms | 29 |
| Complexity | 446.0 |
| SMILES | CCC(=O)OC1(CCN(CC1C)C)C2=CC=CC=C2.C(C(C(=O)O)O)(C(=O)O)O |
| InChIKey | GFNAMNISEWNKBH-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1059403
Property Insights of RefChem:1059403
The XLogP value of 0.68 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1059403. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:1059403 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1059403 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1059403?
The CAS number of RefChem:1059403 is 63938-86-3.
What is the molecular formula of RefChem:1059403?
The molecular formula of RefChem:1059403 is C20H29NO8.
What is the molecular weight of RefChem:1059403?
The molecular weight of RefChem:1059403 is 411.18933 g/mol.
Where can I buy RefChem:1059403?
You can request a quote for RefChem:1059403 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1059403?
Yes, CoreyChem provides custom synthesis services for RefChem:1059403 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.