C19H23N4O2S.1/2O4S
TL;DR: C19H23N4O2S.1/2O4S (CAS 77223-21-3) is a chemical compound with molecular formula C38H46N8O8S3 and molecular weight 838.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol);sulfate
Also Known As: C19H23N4O2S.1/2O4S, C19-H23-N4-O2-S.1/2O4-S, Benzothiazolium, 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methyl-, sulfate (2:1) (salt), Ethanol, 2-(ethyl(4-((6-methoxy-3-methyl-2-benzothiazolium)azo)phenyl)amino)-, sulfate (2:1), Benzothiazolium, 2-((4-(ethyl(2-hydroxyethyl)amino)phenyl)azo)-6-methoxy-3-methyl-, sulfate (2:1) (salt)
| Molecular Formula | C38H46N8O8S3 |
|---|---|
| Molecular Weight | 838.26 g/mol |
| LogP | 6.5988 |
| Topological Polar Surface Area | 268.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 838.2601 |
| Heavy Atoms | 57 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 77223-21-3 |
|---|---|
| SMILES | CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.[O-]S(=O)(=O)[O-] |
| InChIKey | KCNIDFGVWKPDPF-UHFFFAOYSA-L |
Product Overview
C19H23N4O2S.1/2O4S (CAS 77223-21-3), with molecular formula C38H46N8O8S3 and molecular weight 838.26 g/mol. IUPAC: bis(2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol);sulfate.
Chemical Property Profile of C19H23N4O2S.1/2O4S
Property Insights of C19H23N4O2S.1/2O4S
The XLogP value of 6.5988 indicates that C19H23N4O2S.1/2O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 268.0 Ų indicates high polarity, suggesting C19H23N4O2S.1/2O4S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C19H23N4O2S.1/2O4S has 2 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 C19H23N4O2S.1/2O4S?
The CAS number of C19H23N4O2S.1/2O4S is 77223-21-3.
What is the molecular formula of C19H23N4O2S.1/2O4S?
The molecular formula of C19H23N4O2S.1/2O4S is C38H46N8O8S3.
What is the molecular weight of C19H23N4O2S.1/2O4S?
The molecular weight of C19H23N4O2S.1/2O4S is 838.26 g/mol.
Where can I buy C19H23N4O2S.1/2O4S?
You can request a quote for C19H23N4O2S.1/2O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H23N4O2S.1/2O4S?
Yes, KEHONG BIO provides custom synthesis services for C19H23N4O2S.1/2O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.