jm5b01461, Compound 177
TL;DR: jm5b01461, Compound 177 (CAS 693235-40-4) is a chemical compound with molecular formula C20H16B2N4O10 and molecular weight 494.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[4-[(3-borono-5-nitrobenzoyl)amino]phenyl]carbamoyl]-5-nitrophenyl]boronic acid
Also Known As: jm5b01461, Compound 177, J2.052.946F, N,N -(1,4-Phenylene)bis[3-nitro-5-(dihydroxyboryl)benzamide], Boronic acid, [1,4-phenylenebis[iminocarbonyl(5-nitro-3,1-phenylene)]]bis-, (((1,4-Phenylenebis(azanediyl))bis(carbonyl))bis(3-nitro-5,1-phenylene))diboronic acid
| Molecular Formula | C20H16B2N4O10 |
|---|---|
| Molecular Weight | 494.11 g/mol |
| LogP | -0.6328 |
| Topological Polar Surface Area | 225.4 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.10526 |
| Heavy Atoms | 36 |
| Complexity | 1246.3245 |
Chemical Identifiers
| CAS Number | 693235-40-4 |
|---|---|
| SMILES | B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)B(O)O)[N+](=O)[O-])(O)O |
Product Overview
jm5b01461, Compound 177 (CAS 693235-40-4), with molecular formula C20H16B2N4O10 and molecular weight 494.11 g/mol. IUPAC: [3-[[4-[(3-borono-5-nitrobenzoyl)amino]phenyl]carbamoyl]-5-nitrophenyl]boronic acid.
Chemical Property Profile of jm5b01461, Compound 177
Property Insights of jm5b01461, Compound 177
The XLogP value of -0.6328 indicates that jm5b01461, Compound 177 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.4 Ų indicates high polarity, suggesting jm5b01461, Compound 177 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, jm5b01461, Compound 177 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of jm5b01461, Compound 177?
The CAS number of jm5b01461, Compound 177 is 693235-40-4.
What is the molecular formula of jm5b01461, Compound 177?
The molecular formula of jm5b01461, Compound 177 is C20H16B2N4O10.
What is the molecular weight of jm5b01461, Compound 177?
The molecular weight of jm5b01461, Compound 177 is 494.11 g/mol.
Where can I buy jm5b01461, Compound 177?
You can request a quote for jm5b01461, Compound 177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for jm5b01461, Compound 177?
Yes, KEHONG BIO provides custom synthesis services for jm5b01461, Compound 177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.