YM758 cpd
TL;DR: YM758 cpd (CAS 101613-53-0) is a chemical compound with molecular formula C26H32FN3O4 and molecular weight 469.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(3R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethyl]-4-fluorobenzamide
Also Known As: YM758 cpd, SID:135653330, J2.566.014E, (R)-(-)-N-(2-(3-((6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)carbonyl)piperidino)ethyl)-4-fluorobenzamide, (-)-N-(2-((R)-3-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidino)ethyl)-4-fluorobenzamide
| Molecular Formula | C26H32FN3O4 |
|---|---|
| Molecular Weight | 469.24 g/mol |
| LogP | 2.8696 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.23767 |
| Heavy Atoms | 34 |
| Complexity | 1027.4509 |
Chemical Identifiers
| CAS Number | 101613-53-0 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)[C@@H]3CCCN(C3)CCNC(=O)C4=CC=C(C=C4)F)OC |
Product Overview
YM758 cpd (CAS 101613-53-0), with molecular formula C26H32FN3O4 and molecular weight 469.24 g/mol. IUPAC: N-[2-[(3R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethyl]-4-fluorobenzamide.
Chemical Property Profile of YM758 cpd
Property Insights of YM758 cpd
The XLogP value of 2.8696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for YM758 cpd. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for YM758 cpd. Following Lipinski's Rule of Five, YM758 cpd has 1 hydrogen bond donor(s) and 5 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 YM758 cpd?
The CAS number of YM758 cpd is 101613-53-0.
What is the molecular formula of YM758 cpd?
The molecular formula of YM758 cpd is C26H32FN3O4.
What is the molecular weight of YM758 cpd?
The molecular weight of YM758 cpd is 469.24 g/mol.
Where can I buy YM758 cpd?
You can request a quote for YM758 cpd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YM758 cpd?
Yes, KEHONG BIO provides custom synthesis services for YM758 cpd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.