nchembio794-comp2
TL;DR: nchembio794-comp2 (CAS 905982-78-7) is a chemical compound with molecular formula C31H21ClN2O5 and molecular weight 536.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-6-hydroxy-5-[[(2-methylquinolin-8-yl)amino]methyl]-3-oxoxanthen-9-yl]benzoic acid
Also Known As: nchembio794-comp2, J2.397.240I, 2-{2-CHLORO-6-HYDROXY-5-[2-METHYLQUINOLIN-8-YLAMINOMETHYL]-3-OXO-3H-XANTHEN-9-YL}BENZOIC ACID, 2-{2-Chloro-6-hydroxy-5-[(2-methyl-quinolin-8-ylamino)-methyl]-3-oxo-3H-xanthen-9-yl}-benzoic acid, 2-[2-chloro-6-hydroxy-5-[[(2-methylquinolin-8-yl)amino]methyl]-3-oxoxanthen-9-yl]benzoic acid
| Molecular Formula | C31H21ClN2O5 |
|---|---|
| Molecular Weight | 536.11 g/mol |
| LogP | 7.09072 |
| Topological Polar Surface Area | 112.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 536.1139 |
| Heavy Atoms | 39 |
| Complexity | 1963.9573 |
Chemical Identifiers
| CAS Number | 905982-78-7 |
|---|---|
| SMILES | CC1=NC2=C(C=CC=C2NCC3=C(C=CC4=C3OC5=CC(=O)C(=CC5=C4C6=CC=CC=C6C(=O)O)Cl)O)C=C1 |
Product Overview
nchembio794-comp2 (CAS 905982-78-7), with molecular formula C31H21ClN2O5 and molecular weight 536.11 g/mol. IUPAC: 2-[2-chloro-6-hydroxy-5-[[(2-methylquinolin-8-yl)amino]methyl]-3-oxoxanthen-9-yl]benzoic acid.
Chemical Property Profile of nchembio794-comp2
Property Insights of nchembio794-comp2
The XLogP value of 7.09072 indicates that nchembio794-comp2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.66 Ų falls within the moderate polarity range, balancing permeability and solubility for nchembio794-comp2. Following Lipinski's Rule of Five, nchembio794-comp2 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of nchembio794-comp2?
The CAS number of nchembio794-comp2 is 905982-78-7.
What is the molecular formula of nchembio794-comp2?
The molecular formula of nchembio794-comp2 is C31H21ClN2O5.
What is the molecular weight of nchembio794-comp2?
The molecular weight of nchembio794-comp2 is 536.11 g/mol.
Where can I buy nchembio794-comp2?
You can request a quote for nchembio794-comp2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for nchembio794-comp2?
Yes, KEHONG BIO provides custom synthesis services for nchembio794-comp2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.