YM-758 monophosphate
TL;DR: YM-758 monophosphate (CAS 312752-86-6) is a chemical compound with molecular formula C26H35FN3O8P and molecular weight 567.21 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;phosphoric acid
Also Known As: YM-758 monophosphate, YM758 Phosphate, YM-758 phosphate, YM758 monophosphate, YM 758 Phosphate
| Molecular Formula | C26H35FN3O8P |
|---|---|
| Molecular Weight | 567.21 g/mol |
| LogP | 1.941 |
| Topological Polar Surface Area | 148.87 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 567.2146 |
| Heavy Atoms | 39 |
| Complexity | 1182.2057 |
Chemical Identifiers
| CAS Number | 312752-86-6 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)[C@@H]3CCCN(C3)CCNC(=O)C4=CC=C(C=C4)F)OC.OP(=O)(O)O |
Product Overview
YM-758 monophosphate (CAS 312752-86-6), with molecular formula C26H35FN3O8P and molecular weight 567.21 g/mol. IUPAC: N-[2-[(3R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethyl]-4-fluorobenzamide;phosphoric acid.
Chemical Property Profile of YM-758 monophosphate
Property Insights of YM-758 monophosphate
The XLogP value of 1.941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for YM-758 monophosphate. The TPSA of 148.87 Ų indicates high polarity, suggesting YM-758 monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, YM-758 monophosphate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of YM-758 monophosphate?
The CAS number of YM-758 monophosphate is 312752-86-6.
What is the molecular formula of YM-758 monophosphate?
The molecular formula of YM-758 monophosphate is C26H35FN3O8P.
What is the molecular weight of YM-758 monophosphate?
The molecular weight of YM-758 monophosphate is 567.21 g/mol.
Where can I buy YM-758 monophosphate?
You can request a quote for YM-758 monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YM-758 monophosphate?
Yes, KEHONG BIO provides custom synthesis services for YM-758 monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.