e hydrochloride
TL;DR: e hydrochloride (CAS 170098-28-9) is a chemical compound with molecular formula C24H32ClNO3 and molecular weight 417.21 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;hydrochloride
Also Known As: e hydrochloride, Alvimopan Impurity C, (S)-Methyl 2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoate hydrochloride, 8714AA, methyl (2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate;hydrochloride
| Molecular Formula | C24H32ClNO3 |
|---|---|
| Molecular Weight | 417.21 g/mol |
| LogP | 4.4454 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.20706 |
| Heavy Atoms | 29 |
| Complexity | 797.7226 |
Chemical Identifiers
| CAS Number | 170098-28-9 |
|---|---|
| SMILES | C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)OC.Cl |
Product Overview
e hydrochloride (CAS 170098-28-9), with molecular formula C24H32ClNO3 and molecular weight 417.21 g/mol. IUPAC: methyl (2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate;hydrochloride.
Chemical Property Profile of e hydrochloride
Property Insights of e hydrochloride
The XLogP value of 4.4454 indicates that e hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, e hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, e hydrochloride 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 e hydrochloride?
The CAS number of e hydrochloride is 170098-28-9.
What is the molecular formula of e hydrochloride?
The molecular formula of e hydrochloride is C24H32ClNO3.
What is the molecular weight of e hydrochloride?
The molecular weight of e hydrochloride is 417.21 g/mol.
Where can I buy e hydrochloride?
You can request a quote for e hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for e hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for e hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.