C23H18O7S2.H3N
TL;DR: C23H18O7S2.H3N (CAS 68683-35-2) is a chemical compound with molecular formula C23H21NO7S2 and molecular weight 487.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;3-[[5-hydroxy-2-(4-hydroxyphenyl)sulfonylphenyl]methyl]naphthalene-2-sulfonic acid
Also Known As: 2-Naphthalenesulfonic acid, 3-((5-hydroxy-2-((4-hydroxyphenyl)sulfonyl)phenyl)methyl)-, ammonium salt (1:1), 2-Naphthalenesulfonic acid, 3-((5-hydroxy-2-((4-hydroxyphenyl)sulfonyl)phenyl)methyl)-, monoammonium salt, Azane; 3-[[5-hydroxy-2-(4-hydroxyphenyl)sulfonyl-phenyl]methyl]naphthalene-2-sulfonic Acid, azane; 3-[[5-hydroxy-2-(4-hydroxyphenyl)sulfonylphenyl]methyl]naphthalene-2-sulfonic acid, 2-Naphthalenesulfonic acid, 3-[[5-hydroxy-2-[(4-hydroxyphenyl) sulfonyl]phenyl]methyl]-, monoammonium salt
| Molecular Formula | C23H21NO7S2 |
|---|---|
| Molecular Weight | 487.08 g/mol |
| LogP | 4.08 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.07596 |
| Heavy Atoms | 33 |
| Complexity | 837.0 |
Chemical Identifiers
| CAS Number | 68683-35-2 |
|---|---|
| SMILES | C1=CC=C2C=C(C(=CC2=C1)CC3=C(C=CC(=C3)O)S(=O)(=O)C4=CC=C(C=C4)O)S(=O)(=O)O.N |
| InChIKey | IWNQQBRWVBXWNY-UHFFFAOYSA-N |
Product Overview
C23H18O7S2.H3N (CAS 68683-35-2), with molecular formula C23H21NO7S2 and molecular weight 487.08 g/mol. IUPAC: azane;3-[[5-hydroxy-2-(4-hydroxyphenyl)sulfonylphenyl]methyl]naphthalene-2-sulfonic acid.
Chemical Property Profile of C23H18O7S2.H3N
Property Insights of C23H18O7S2.H3N
The XLogP value of 4.08 indicates that C23H18O7S2.H3N is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting C23H18O7S2.H3N may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C23H18O7S2.H3N has 4 hydrogen bond donor(s) and 8 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 C23H18O7S2.H3N?
The CAS number of C23H18O7S2.H3N is 68683-35-2.
What is the molecular formula of C23H18O7S2.H3N?
The molecular formula of C23H18O7S2.H3N is C23H21NO7S2.
What is the molecular weight of C23H18O7S2.H3N?
The molecular weight of C23H18O7S2.H3N is 487.08 g/mol.
Where can I buy C23H18O7S2.H3N?
You can request a quote for C23H18O7S2.H3N directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H18O7S2.H3N?
Yes, KEHONG BIO provides custom synthesis services for C23H18O7S2.H3N and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.