J1.832.510A
TL;DR: J1.832.510A (CAS 475560-97-5) is a chemical compound with molecular formula C52H50N2O8S and molecular weight 862.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-[3,4-dicyano-5-[2-[4-(3,4-dibutoxybenzoyl)oxyphenyl]ethynyl]thiophen-2-yl]ethynyl]phenyl] 3,4-dibutoxybenzoate
Also Known As: J1.832.510A, [4-[2-[3,4-dicyano-5-[2-[4-(3,4-dibutoxybenzoyl)oxyphenyl]ethynyl]thiophen-2-yl]ethynyl]phenyl] 3,4-dibutoxybenzoate, 4-[2-(3,4-dicyano-5-{2-[4-(3,4-dibutoxybenzoyloxy)phenyl]ethynyl}thiophen-2-yl)ethynyl]phenyl 3,4-dibutoxybenzoate, Benzoic acid, 3,4-dibutoxy-, (3,4-dicyano-2,5-thiophenediyl)bis(2,1-ethynediyl-4,1-phenylene) ester, Bis(3,4-dibutoxybenzoic acid)3,4-dicyanothiophene-2,5-diylbis[ethyne-1,2-diyl(1,4-phenylene)] ester
| Molecular Formula | C52H50N2O8S |
|---|---|
| Molecular Weight | 862.33 g/mol |
| LogP | 11.44506 |
| Topological Polar Surface Area | 137.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 20 |
| Exact Mass | 862.3288 |
| Heavy Atoms | 63 |
| Complexity | 2366.6702 |
Chemical Identifiers
| CAS Number | 475560-97-5 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C#CC3=C(C(=C(S3)C#CC4=CC=C(C=C4)OC(=O)C5=CC(=C(C=C5)OCCCC)OCCCC)C#N)C#N)OCCCC |
Product Overview
J1.832.510A (CAS 475560-97-5), with molecular formula C52H50N2O8S and molecular weight 862.33 g/mol. IUPAC: [4-[2-[3,4-dicyano-5-[2-[4-(3,4-dibutoxybenzoyl)oxyphenyl]ethynyl]thiophen-2-yl]ethynyl]phenyl] 3,4-dibutoxybenzoate.
Chemical Property Profile of J1.832.510A
Property Insights of J1.832.510A
The XLogP value of 11.44506 indicates that J1.832.510A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.1 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.832.510A. Following Lipinski's Rule of Five, J1.832.510A has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.832.510A?
The CAS number of J1.832.510A is 475560-97-5.
What is the molecular formula of J1.832.510A?
The molecular formula of J1.832.510A is C52H50N2O8S.
What is the molecular weight of J1.832.510A?
The molecular weight of J1.832.510A is 862.33 g/mol.
Where can I buy J1.832.510A?
You can request a quote for J1.832.510A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.832.510A?
Yes, KEHONG BIO provides custom synthesis services for J1.832.510A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.