![2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid structure](/static/products/5024/502467-23-4.webp)
2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid
TL;DR: 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid (CAS 502467-23-4) is a chemical compound with molecular formula C40H31ClN4O5 and molecular weight 682.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid
Also Known As: 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid, 9-(o-Carboxyphenyl)-2-chloro-5-[2-{bis(2-pyridylmethyl)aminomethyl}-N-methylaniline]-6-hydroxy-3-xanthanone, 2-(5-{[2-({Bis[(pyridin-2-yl)methyl]amino}methyl)anilino]methyl}-2-chloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, 2-[5-[[2-[[bis(2-pyridylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxo-xanthen-9-yl]benzoic acid, 5'-[[[2-[[bis(2-pyridinylmethyl)amino]methyl]phenyl]amino]methyl]-2'-chloro-3',6'-dihydroxy-spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
| Molecular Formula | C40H31ClN4O5 |
|---|---|
| Molecular Weight | 682.20 g/mol |
| LogP | 8.2265 |
| Topological Polar Surface Area | 128.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 682.1983 |
| Heavy Atoms | 50 |
| Complexity | 2305.9922 |
Chemical Identifiers
| CAS Number | 502467-23-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3)NCC4=C(C=CC5=C4OC6=CC(=O)C(=CC6=C5C7=CC=CC=C7C(=O)O)Cl)O |
Product Overview
2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid (CAS 502467-23-4), with molecular formula C40H31ClN4O5 and molecular weight 682.20 g/mol. IUPAC: 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid.
Chemical Property Profile of 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid
Property Insights of 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid
The XLogP value of 8.2265 indicates that 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid. Following Lipinski's Rule of Five, 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid?
The CAS number of 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid is 502467-23-4.
What is the molecular formula of 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid?
The molecular formula of 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid is C40H31ClN4O5.
What is the molecular weight of 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid?
The molecular weight of 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid is 682.20 g/mol.
Where can I buy 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid?
You can request a quote for 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-[[2-[[bis(pyridin-2-ylmethyl)amino]methyl]anilino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.