11N-739
TL;DR: 11N-739 (CAS 303994-40-3) is a chemical compound with molecular formula C20H18ClFO7 and molecular weight 424.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[(2-chloro-6-fluorophenyl)methyl]-4-formyl-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
Also Known As: 11N-739, methyl 2-[2-(2-chloro-6-fluorobenzyl)-4-formyl-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate, methyl 2-[2-[(2-chloro-6-fluorophenyl)methyl]-4-formyl-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate, methyl 2-{2-[(2-chloro-6-fluorophenyl)methyl]-4-formyl-3-(2-methoxy-2-oxoethoxy)phenoxy}acetate, Methyl 2-[2-[(2-chloro-6-fluoro-phenyl)methyl]-6-formyl-3-(methoxycarbonylmethoxy)phenoxy]acetate
| Molecular Formula | C20H18ClFO7 |
|---|---|
| Molecular Weight | 424.07 g/mol |
| LogP | 2.986 |
| Topological Polar Surface Area | 88.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 424.0725 |
| Heavy Atoms | 29 |
| Complexity | 893.693 |
Chemical Identifiers
| CAS Number | 303994-40-3 |
|---|---|
| SMILES | COC(=O)COC1=C(C(=C(C=C1)C=O)OCC(=O)OC)CC2=C(C=CC=C2Cl)F |
Product Overview
11N-739 (CAS 303994-40-3), with molecular formula C20H18ClFO7 and molecular weight 424.07 g/mol. IUPAC: methyl 2-[2-[(2-chloro-6-fluorophenyl)methyl]-4-formyl-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate.
Chemical Property Profile of 11N-739
Property Insights of 11N-739
The XLogP value of 2.986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11N-739. The TPSA of 88.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 11N-739. Following Lipinski's Rule of Five, 11N-739 has 0 hydrogen bond donor(s) and 7 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 11N-739?
The CAS number of 11N-739 is 303994-40-3.
What is the molecular formula of 11N-739?
The molecular formula of 11N-739 is C20H18ClFO7.
What is the molecular weight of 11N-739?
The molecular weight of 11N-739 is 424.07 g/mol.
Where can I buy 11N-739?
You can request a quote for 11N-739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11N-739?
Yes, KEHONG BIO provides custom synthesis services for 11N-739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.