7L-513S
TL;DR: 7L-513S (CAS 339015-28-0) is a chemical compound with molecular formula C21H16Cl2N2O7S and molecular weight 510.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2,4-dichloro-5-[[3-(4-nitrophenoxy)thiophene-2-carbonyl]amino]phenoxy]acetate
Also Known As: 7L-513S, Ethyl 2-(2,4-dichloro-5-(((3-(4-nitrophenoxy)-2-thienyl)carbonyl)amino)phenoxy)acetate, Ethyl 2-[2,4-dichloro-5-[[3-(4-nitrophenoxy)thiophene-2-carbonyl]amino]phenoxy]acetate, ethyl 2-{2,4-dichloro-5-[3-(4-nitrophenoxy)thiophene-2-amido]phenoxy}acetate, ethyl 2-[2,4-dichloro-5-({[3-(4-nitrophenoxy)-2-thienyl]carbonyl}amino)phenoxy]acetate
| Molecular Formula | C21H16Cl2N2O7S |
|---|---|
| Molecular Weight | 510.01 g/mol |
| LogP | 5.9496 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 510.00552 |
| Heavy Atoms | 33 |
| Complexity | 1181.8563 |
Chemical Identifiers
| CAS Number | 339015-28-0 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C(=C1)NC(=O)C2=C(C=CS2)OC3=CC=C(C=C3)[N+](=O)[O-])Cl)Cl |
Product Overview
7L-513S (CAS 339015-28-0), with molecular formula C21H16Cl2N2O7S and molecular weight 510.01 g/mol. IUPAC: ethyl 2-[2,4-dichloro-5-[[3-(4-nitrophenoxy)thiophene-2-carbonyl]amino]phenoxy]acetate.
Chemical Property Profile of 7L-513S
Property Insights of 7L-513S
The XLogP value of 5.9496 indicates that 7L-513S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7L-513S. Following Lipinski's Rule of Five, 7L-513S has 1 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 7L-513S?
The CAS number of 7L-513S is 339015-28-0.
What is the molecular formula of 7L-513S?
The molecular formula of 7L-513S is C21H16Cl2N2O7S.
What is the molecular weight of 7L-513S?
The molecular weight of 7L-513S is 510.01 g/mol.
Where can I buy 7L-513S?
You can request a quote for 7L-513S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7L-513S?
Yes, KEHONG BIO provides custom synthesis services for 7L-513S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.