RefChem:564370
TL;DR: RefChem:564370 (CAS 82391-15-9) is a chemical compound with molecular formula C22H27N3O14S3 and molecular weight 653.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-oxobutanoyl]amino]-5-methoxy-2-methylbenzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-((2-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-1,3-dioxobutyl)amino)-5-methoxy-2-methyl-, Benzenesulfonic acid, 4-((2-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-1,3-dioxobutyl)amino)-5-methoxy-2-methyl-, 4-[[2-[2-[2,5-Dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1,3-dioxobutyl]amino]-5-methoxy-2-methylbenzenesulfonic acid, Benzenesulfonic acid, 4-[[2-[[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1,3-dioxobutyl]amino]-5-methoxy-2-methyl-, 4-((2-(2-(2,5-Dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-1,3-dioxobutyl)amino)-5-methoxy-2-methylbenzenesulfonic acid
| Molecular Formula | C22H27N3O14S3 |
|---|---|
| Molecular Weight | 653.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 276.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 653.0655 |
| Heavy Atoms | 42 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 82391-15-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)O)OC)NC(=O)C(C(=O)C)N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)O)OC |
| InChIKey | PFHABTXROYOMKR-UHFFFAOYSA-N |
Product Overview
RefChem:564370 (CAS 82391-15-9), with molecular formula C22H27N3O14S3 and molecular weight 653.07 g/mol. IUPAC: 4-[[2-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-oxobutanoyl]amino]-5-methoxy-2-methylbenzenesulfonic acid.
Chemical Property Profile of RefChem:564370
Property Insights of RefChem:564370
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:564370. The TPSA of 276.0 Ų indicates high polarity, suggesting RefChem:564370 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564370 has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:564370?
The CAS number of RefChem:564370 is 82391-15-9.
What is the molecular formula of RefChem:564370?
The molecular formula of RefChem:564370 is C22H27N3O14S3.
What is the molecular weight of RefChem:564370?
The molecular weight of RefChem:564370 is 653.07 g/mol.
Where can I buy RefChem:564370?
You can request a quote for RefChem:564370 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564370?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564370 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.