C44H59ClO9Se
TL;DR: C44H59ClO9Se (CAS 62559-75-5) is a chemical compound with molecular formula C44H59ClO9Se and molecular weight 846.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-[2-[4-(3-chlorophenoxy)-3-(oxan-2-yloxy)but-1-enyl]-3,5-bis(oxan-2-yloxy)cyclopentyl]-2-phenylselanylhept-5-enoate
Also Known As: 5-Heptenoic acid, 7-(2-(4-(3-chlorophenoxy)-3-((tetrahydro-2H-pyran-2-yl)oxy)-1-butenyl)-3,5-bis((tetrahydro-2H-pyran-2-yl)oxy)cyclopentyl)-2-(phenylseleno)-, methyl ester, METHYL (E)-7-[2-[(E)-4-(3-CHLOROPHENOXY)-3-(OXAN-2-YLOXY)BUT-1-ENYL]-3,5-BIS(OXAN-2-YLOXY)CYCLOPENTYL]-2-PHENYLSELANYL-HEPT-5-ENOATE
| Molecular Formula | C44H59ClO9Se |
|---|---|
| Molecular Weight | 846.30 g/mol |
| LogP | 8.3642 |
| Topological Polar Surface Area | 90.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 846.3013 |
| Heavy Atoms | 55 |
| Complexity | 1458.1738 |
Chemical Identifiers
| CAS Number | 62559-75-5 |
|---|---|
| SMILES | COC(=O)C(CCC=CCC1C(CC(C1C=CC(COC2=CC(=CC=C2)Cl)OC3CCCCO3)OC4CCCCO4)OC5CCCCO5)[Se]C6=CC=CC=C6 |
Product Overview
C44H59ClO9Se (CAS 62559-75-5), with molecular formula C44H59ClO9Se and molecular weight 846.30 g/mol. IUPAC: methyl 7-[2-[4-(3-chlorophenoxy)-3-(oxan-2-yloxy)but-1-enyl]-3,5-bis(oxan-2-yloxy)cyclopentyl]-2-phenylselanylhept-5-enoate.
Chemical Property Profile of C44H59ClO9Se
Property Insights of C44H59ClO9Se
The XLogP value of 8.3642 indicates that C44H59ClO9Se is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.91 Ų falls within the moderate polarity range, balancing permeability and solubility for C44H59ClO9Se. Following Lipinski's Rule of Five, C44H59ClO9Se has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C44H59ClO9Se?
The CAS number of C44H59ClO9Se is 62559-75-5.
What is the molecular formula of C44H59ClO9Se?
The molecular formula of C44H59ClO9Se is C44H59ClO9Se.
What is the molecular weight of C44H59ClO9Se?
The molecular weight of C44H59ClO9Se is 846.30 g/mol.
Where can I buy C44H59ClO9Se?
You can request a quote for C44H59ClO9Se directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C44H59ClO9Se?
Yes, KEHONG BIO provides custom synthesis services for C44H59ClO9Se and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.