J1.171.819A
TL;DR: J1.171.819A (CAS 245359-82-4) is a chemical compound with molecular formula C31H19Br3O4 and molecular weight 691.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzofuran-11-yl)phenoxy]-3-phenylpropanoic acid
Also Known As: J1.171.819A, (R)-2-(2,6-Dibromo-4-(6-bromonaphtho[2,3-b]benzofuran-11-yl)phenoxy)-3-phenylpropanoic acid, (2R)-2-(2,6-dibromo-4-{2-bromo-17-oxatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-yl}phenoxy)-3-phenylpropanoic acid, (R)-2-[2,6-Dibromo-4-(6-bromo-benzo[b]naphtho[2,3-d]furan-11-yl)-phenoxy]-3-phenyl-propionic acid, (R)-alpha-[2,6-Dibromo-4-(6-bromobenzo[b]naphtho[2,3-d]furan-11-yl)phenoxy]benzenepropionic acid
| Molecular Formula | C31H19Br3O4 |
|---|---|
| Molecular Weight | 691.88 g/mol |
| LogP | 9.7684 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 691.88336 |
| Heavy Atoms | 38 |
| Complexity | 1820.4126 |
Chemical Identifiers
| CAS Number | 245359-82-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@H](C(=O)O)OC2=C(C=C(C=C2Br)C3=C4C5=CC=CC=C5OC4=C(C6=CC=CC=C63)Br)Br |
Product Overview
J1.171.819A (CAS 245359-82-4), with molecular formula C31H19Br3O4 and molecular weight 691.88 g/mol. IUPAC: (2R)-2-[2,6-dibromo-4-(6-bromonaphtho[3,2-b][1]benzofuran-11-yl)phenoxy]-3-phenylpropanoic acid.
Chemical Property Profile of J1.171.819A
Property Insights of J1.171.819A
The XLogP value of 9.7684 indicates that J1.171.819A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.67 Ų, J1.171.819A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J1.171.819A has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.171.819A?
The CAS number of J1.171.819A is 245359-82-4.
What is the molecular formula of J1.171.819A?
The molecular formula of J1.171.819A is C31H19Br3O4.
What is the molecular weight of J1.171.819A?
The molecular weight of J1.171.819A is 691.88 g/mol.
Where can I buy J1.171.819A?
You can request a quote for J1.171.819A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.171.819A?
Yes, KEHONG BIO provides custom synthesis services for J1.171.819A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.