NSC 7459
TL;DR: NSC 7459 (CAS 73728-80-0) is a chemical compound with molecular formula C21H27Cl2NO3 and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-2-hydroxy-3-phenylbenzoyl)oxyethyl-di(propan-2-yl)azanium chloride
Also Known As: 3-Biphenylcarboxylic acid, 5-chloro-2-hydroxy-, 2-(diisopropylamino)ethyl ester, hydrochloride, 5-Chloro-2-hydroxy-3-biphenylcarboxylic acid 2-(diisopropylamino)ethyl ester hydrochloride, (1,1'-Biphenyl)-3-carboxylic acid, 5-chloro-2-hydroxy-, 2-(bis(1-methylethyl)amino)ethyl ester, hydrochloride, 2-(5-chloro-2-hydroxy-3-phenylbenzoyl)oxyethyl-di(propan-2-yl)azanium chloride, 2-[di(propan-2-yl)amino]ethyl 5-chloro-2-hydroxy-3-phenylbenzoate;hydrochloride
| Molecular Formula | C21H27Cl2NO3 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 0.58 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.1368 |
| Heavy Atoms | 27 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 73728-80-0 |
|---|---|
| SMILES | CC(C)[NH+](CCOC(=O)C1=CC(=CC(=C1O)C2=CC=CC=C2)Cl)C(C)C.[Cl-] |
| InChIKey | DVVKFFLFPWILNJ-UHFFFAOYSA-N |
Product Overview
NSC 7459 (CAS 73728-80-0), with molecular formula C21H27Cl2NO3 and molecular weight 411.14 g/mol. IUPAC: 2-(5-chloro-2-hydroxy-3-phenylbenzoyl)oxyethyl-di(propan-2-yl)azanium chloride.
Chemical Property Profile of NSC 7459
Property Insights of NSC 7459
The XLogP value of 0.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NSC 7459. With a topological polar surface area (TPSA) of 51.0 Ų, NSC 7459 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NSC 7459 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NSC 7459?
The CAS number of NSC 7459 is 73728-80-0.
What is the molecular formula of NSC 7459?
The molecular formula of NSC 7459 is C21H27Cl2NO3.
What is the molecular weight of NSC 7459?
The molecular weight of NSC 7459 is 411.14 g/mol.
Where can I buy NSC 7459?
You can request a quote for NSC 7459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 7459?
Yes, KEHONG BIO provides custom synthesis services for NSC 7459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.