Poldini metilsulfas
TL;DR: Poldini metilsulfas (CAS 170098-29-0) is a chemical compound with molecular formula C24H31NO3 and molecular weight 381.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate
Also Known As: Poldini metilsulfas, Alvimopan Impurity 3, Alvimopan Impurity 7, (S)-methyl 2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoate, methyl (2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate
| Molecular Formula | C24H31NO3 |
|---|---|
| Molecular Weight | 381.23 g/mol |
| LogP | 4.0236 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.2304 |
| Heavy Atoms | 28 |
| Complexity | 791.4471 |
Chemical Identifiers
| CAS Number | 170098-29-0 |
|---|---|
| SMILES | C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)OC |
Product Overview
Poldini metilsulfas (CAS 170098-29-0), with molecular formula C24H31NO3 and molecular weight 381.23 g/mol. IUPAC: methyl (2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate.
Chemical Property Profile of Poldini metilsulfas
Property Insights of Poldini metilsulfas
The XLogP value of 4.0236 indicates that Poldini metilsulfas is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, Poldini metilsulfas exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Poldini metilsulfas 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 Poldini metilsulfas?
The CAS number of Poldini metilsulfas is 170098-29-0.
What is the molecular formula of Poldini metilsulfas?
The molecular formula of Poldini metilsulfas is C24H31NO3.
What is the molecular weight of Poldini metilsulfas?
The molecular weight of Poldini metilsulfas is 381.23 g/mol.
Where can I buy Poldini metilsulfas?
You can request a quote for Poldini metilsulfas directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Poldini metilsulfas?
Yes, KEHONG BIO provides custom synthesis services for Poldini metilsulfas and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.