YM-58790 free base
TL;DR: YM-58790 free base (CAS 168830-70-4) is a chemical compound with molecular formula C27H31N3O2 and molecular weight 429.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[[4-(methylamino)phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate
Also Known As: YM-58790 free base, YM-58790 (free base), HY-101679A, YM 58790, [1-[(4-methylaminophenyl)methyl]-4-piperidyl] N-benzhydrylcarbamate
| Molecular Formula | C27H31N3O2 |
|---|---|
| Molecular Weight | 429.24 g/mol |
| LogP | 5.2085 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.24164 |
| Heavy Atoms | 32 |
| Complexity | 929.3029 |
Chemical Identifiers
| CAS Number | 168830-70-4 |
|---|---|
| SMILES | CNC1=CC=C(C=C1)CN2CCC(CC2)OC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
YM-58790 free base (CAS 168830-70-4), with molecular formula C27H31N3O2 and molecular weight 429.24 g/mol. IUPAC: [1-[[4-(methylamino)phenyl]methyl]piperidin-4-yl] N-benzhydrylcarbamate.
Chemical Property Profile of YM-58790 free base
Property Insights of YM-58790 free base
The XLogP value of 5.2085 indicates that YM-58790 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, YM-58790 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, YM-58790 free base has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of YM-58790 free base?
The CAS number of YM-58790 free base is 168830-70-4.
What is the molecular formula of YM-58790 free base?
The molecular formula of YM-58790 free base is C27H31N3O2.
What is the molecular weight of YM-58790 free base?
The molecular weight of YM-58790 free base is 429.24 g/mol.
Where can I buy YM-58790 free base?
You can request a quote for YM-58790 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YM-58790 free base?
Yes, KEHONG BIO provides custom synthesis services for YM-58790 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.