SQ 27786
TL;DR: SQ 27786 (CAS 89813-31-0) is a chemical compound with molecular formula C23H25ClN4O7S2 and molecular weight 568.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(7-chloro-4-oxo-6-sulfamoyl-2,3-dihydro-1H-quinazolin-2-yl)phenoxy]-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid
Also Known As: 4-[4-(7-chloro-4-oxo-6-sulfamoyl-2,3-dihydro-1H-quinazolin-2-yl)phenoxy]-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid, 4-(4-(6-(Aminosulfonyl)-7-chloro-1,2,3,4-tetrahydro-4-oxo-2-quinazolinyl)phenoxy)-1-(3-mercapto-2-methyl-1-oxopropyl)proline, L-Proline, 4-(4-(6-(aminosulfonyl)-7-chloro-1,2,3,4-tetrahydro-4-oxo-2-quinazolinyl)phenoxy)-1-(3-mercapto-2-methyl-1-oxopropyl)-, (1(R*),2alpha,4alpha)-, 4-[4-(7-Chloro-4-hydroxy-6-sulfamoyl-1,2-dihydroquinazolin-2-yl)phenoxy]-1-(2-methyl-3-sulfanylpropanoyl)proline, RefChem:185099
| Molecular Formula | C23H25ClN4O7S2 |
|---|---|
| Molecular Weight | 568.09 g/mol |
| LogP | 1.8403 |
| Topological Polar Surface Area | 168.13 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 568.0853 |
| Heavy Atoms | 37 |
| Complexity | 1353.6085 |
Chemical Identifiers
| CAS Number | 89813-31-0 |
|---|---|
| SMILES | CC(CS)C(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)C3NC4=CC(=C(C=C4C(=O)N3)S(=O)(=O)N)Cl |
Product Overview
SQ 27786 (CAS 89813-31-0), with molecular formula C23H25ClN4O7S2 and molecular weight 568.09 g/mol. IUPAC: 4-[4-(7-chloro-4-oxo-6-sulfamoyl-2,3-dihydro-1H-quinazolin-2-yl)phenoxy]-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of SQ 27786
Property Insights of SQ 27786
The XLogP value of 1.8403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SQ 27786. The TPSA of 168.13 Ų indicates high polarity, suggesting SQ 27786 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SQ 27786 has 5 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 SQ 27786?
The CAS number of SQ 27786 is 89813-31-0.
What is the molecular formula of SQ 27786?
The molecular formula of SQ 27786 is C23H25ClN4O7S2.
What is the molecular weight of SQ 27786?
The molecular weight of SQ 27786 is 568.09 g/mol.
Where can I buy SQ 27786?
You can request a quote for SQ 27786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SQ 27786?
Yes, KEHONG BIO provides custom synthesis services for SQ 27786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.