compound 11
TL;DR: compound 11 (CAS 714564-55-3) is a chemical compound with molecular formula C27H25Cl2N5O4S and molecular weight 585.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide
Also Known As: compound 11, GTPL665, compound 11 [PMID: 12812482], PMID12812482C11, J2.187.824C
| Molecular Formula | C27H25Cl2N5O4S |
|---|---|
| Molecular Weight | 585.10 g/mol |
| LogP | 3.6082 |
| Topological Polar Surface Area | 119.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 585.1004 |
| Heavy Atoms | 39 |
| Complexity | 1560.597 |
Chemical Identifiers
| CAS Number | 714564-55-3 |
|---|---|
| SMILES | C1CN=C(N1)C2=CC=C(C=C2)CCNC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4N3S(=O)(=O)C5=CC(=C(C=C5)Cl)Cl |
Product Overview
compound 11 (CAS 714564-55-3), with molecular formula C27H25Cl2N5O4S and molecular weight 585.10 g/mol. IUPAC: 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide.
Chemical Property Profile of compound 11
Property Insights of compound 11
The XLogP value of 3.6082 indicates that compound 11 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.97 Ų falls within the moderate polarity range, balancing permeability and solubility for compound 11. Following Lipinski's Rule of Five, compound 11 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 compound 11?
The CAS number of compound 11 is 714564-55-3.
What is the molecular formula of compound 11?
The molecular formula of compound 11 is C27H25Cl2N5O4S.
What is the molecular weight of compound 11?
The molecular weight of compound 11 is 585.10 g/mol.
Where can I buy compound 11?
You can request a quote for compound 11 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for compound 11?
Yes, KEHONG BIO provides custom synthesis services for compound 11 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.