C20H18N2O6S.H3N
TL;DR: C20H18N2O6S.H3N (CAS 68427-37-2) is a chemical compound with molecular formula C20H21N3O6S and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;2-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-benzoxazole-5-sulfonic acid
Also Known As: 3-(5'-Sulfobenzoxazolyl-2')-7-diethylaminocoumarin, ammonium salt, 5-Benzoxazolesulfonic acid, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-, ammonium salt, ammonium 2-[7-(diethylamino)-2-oxo-2h-chromen-3-yl]-1,3-benzoxazole-5-sulfonate, 5-Benzoxazolesulfonic acid, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-, ammonium salt (1:1), Ammonium 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonate
| Molecular Formula | C20H21N3O6S |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 3.86 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.1151 |
| Heavy Atoms | 30 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 68427-37-2 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)O.N |
| InChIKey | RFMJEJCQFWMDAM-UHFFFAOYSA-N |
Product Overview
C20H18N2O6S.H3N (CAS 68427-37-2), with molecular formula C20H21N3O6S and molecular weight 431.12 g/mol. IUPAC: azane;2-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-benzoxazole-5-sulfonic acid.
Chemical Property Profile of C20H18N2O6S.H3N
Property Insights of C20H18N2O6S.H3N
The XLogP value of 3.86 indicates that C20H18N2O6S.H3N is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H18N2O6S.H3N. Following Lipinski's Rule of Five, C20H18N2O6S.H3N has 2 hydrogen bond donor(s) and 9 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 C20H18N2O6S.H3N?
The CAS number of C20H18N2O6S.H3N is 68427-37-2.
What is the molecular formula of C20H18N2O6S.H3N?
The molecular formula of C20H18N2O6S.H3N is C20H21N3O6S.
What is the molecular weight of C20H18N2O6S.H3N?
The molecular weight of C20H18N2O6S.H3N is 431.12 g/mol.
Where can I buy C20H18N2O6S.H3N?
You can request a quote for C20H18N2O6S.H3N directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H18N2O6S.H3N?
Yes, KEHONG BIO provides custom synthesis services for C20H18N2O6S.H3N and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.