CAS 313498-68-9 - C23H13NO6S
TL;DR: CAS 313498-68-9 - C23H13NO6S (CAS 313498-68-9) is a chemical compound with molecular formula C23H13NO6S and molecular weight 431.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-[hydroxy(phenyl)methylidene]-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-12-sulfonic acid
Also Known As: 16-benzoyl-8,15-dioxo-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9(17),10,12-heptaene-12-sulfonic acid
| Molecular Formula | C23H13NO6S |
|---|---|
| Molecular Weight | 431.05 g/mol |
| LogP | 1.95108 |
| Topological Polar Surface Area | 121.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.04636 |
| Heavy Atoms | 31 |
| Complexity | 1851.5896 |
Chemical Identifiers
| CAS Number | 313498-68-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C2C3=C4C(=CC=C(C4=NC2=O)S(=O)(=O)O)C(=O)C5=CC=CC=C53)O |
Product Overview
CAS 313498-68-9 - C23H13NO6S (CAS 313498-68-9), with molecular formula C23H13NO6S and molecular weight 431.05 g/mol. IUPAC: 16-[hydroxy(phenyl)methylidene]-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-12-sulfonic acid.
Chemical Property Profile of CAS 313498-68-9 - C23H13NO6S
Property Insights of CAS 313498-68-9 - C23H13NO6S
The XLogP value of 1.95108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CAS 313498-68-9 - C23H13NO6S. The TPSA of 121.63 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 313498-68-9 - C23H13NO6S. Following Lipinski's Rule of Five, CAS 313498-68-9 - C23H13NO6S has 2 hydrogen bond donor(s) and 6 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 CAS 313498-68-9 - C23H13NO6S?
The CAS number of CAS 313498-68-9 - C23H13NO6S is 313498-68-9.
What is the molecular formula of CAS 313498-68-9 - C23H13NO6S?
The molecular formula of CAS 313498-68-9 - C23H13NO6S is C23H13NO6S.
What is the molecular weight of CAS 313498-68-9 - C23H13NO6S?
The molecular weight of CAS 313498-68-9 - C23H13NO6S is 431.05 g/mol.
Where can I buy CAS 313498-68-9 - C23H13NO6S?
You can request a quote for CAS 313498-68-9 - C23H13NO6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 313498-68-9 - C23H13NO6S?
Yes, KEHONG BIO provides custom synthesis services for CAS 313498-68-9 - C23H13NO6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.