J1.504.546I
TL;DR: J1.504.546I (CAS 98054-97-8) is a chemical compound with molecular formula C39H36O15 and molecular weight 744.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[3,5-bis[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenyl]methoxy]benzene-1,3-dicarboxylate
Also Known As: J1.504.546I, 1,3-Benzenedicarboxylic acid, 5,5',5''-[1,3,5-benzenetriyltr, 1,3-dimethyl 5-{[3,5-bis({[3,5-bis(methoxycarbonyl)phenoxy]methyl})phenyl]methoxy}benzene-1,3-dicarboxylate, 5,5 ,5 -[(1,3,5-Benzenetriyl)trismethylenetrisoxy]tris(isophthalic acid dimethyl) ester, dimethyl 5-[[3,5-bis[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenyl]methoxy]benzene-1,3-dicarboxylate
| Molecular Formula | C39H36O15 |
|---|---|
| Molecular Weight | 744.21 g/mol |
| LogP | 5.1432 |
| Topological Polar Surface Area | 185.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Exact Mass | 744.20544 |
| Heavy Atoms | 54 |
| Complexity | 1720.2448 |
Chemical Identifiers
| CAS Number | 98054-97-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)OCC2=CC(=CC(=C2)COC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)COC4=CC(=CC(=C4)C(=O)OC)C(=O)OC)C(=O)OC |
Product Overview
J1.504.546I (CAS 98054-97-8), with molecular formula C39H36O15 and molecular weight 744.21 g/mol. IUPAC: dimethyl 5-[[3,5-bis[[3,5-bis(methoxycarbonyl)phenoxy]methyl]phenyl]methoxy]benzene-1,3-dicarboxylate.
Chemical Property Profile of J1.504.546I
Property Insights of J1.504.546I
The XLogP value of 5.1432 indicates that J1.504.546I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.49 Ų indicates high polarity, suggesting J1.504.546I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.504.546I has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.504.546I?
The CAS number of J1.504.546I is 98054-97-8.
What is the molecular formula of J1.504.546I?
The molecular formula of J1.504.546I is C39H36O15.
What is the molecular weight of J1.504.546I?
The molecular weight of J1.504.546I is 744.21 g/mol.
Where can I buy J1.504.546I?
You can request a quote for J1.504.546I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.504.546I?
Yes, KEHONG BIO provides custom synthesis services for J1.504.546I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.