EX-A11862
TL;DR: EX-A11862 (CAS 780822-36-8) is a chemical compound with molecular formula C19H15N3O6S2 and molecular weight 445.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-hydroxy-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
Also Known As: EX-A11862, 2-((1-Hydroxy-4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-sulfonamido)naphthalen-2-yl)thio)acetic acid, 2-{[1-hydroxy-4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)naphthalen-2-yl]sulfanyl}acetic acid, 2-[1-hydroxy-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
| Molecular Formula | C19H15N3O6S2 |
|---|---|
| Molecular Weight | 445.04 g/mol |
| LogP | 2.6925 |
| Topological Polar Surface Area | 152.35 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.04022 |
| Heavy Atoms | 30 |
| Complexity | 1456.4343 |
Chemical Identifiers
| CAS Number | 780822-36-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4 |
Product Overview
EX-A11862 (CAS 780822-36-8), with molecular formula C19H15N3O6S2 and molecular weight 445.04 g/mol. IUPAC: 2-[1-hydroxy-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid.
Chemical Property Profile of EX-A11862
Property Insights of EX-A11862
The XLogP value of 2.6925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EX-A11862. The TPSA of 152.35 Ų indicates high polarity, suggesting EX-A11862 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EX-A11862 has 5 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 EX-A11862?
The CAS number of EX-A11862 is 780822-36-8.
What is the molecular formula of EX-A11862?
The molecular formula of EX-A11862 is C19H15N3O6S2.
What is the molecular weight of EX-A11862?
The molecular weight of EX-A11862 is 445.04 g/mol.
Where can I buy EX-A11862?
You can request a quote for EX-A11862 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EX-A11862?
Yes, KEHONG BIO provides custom synthesis services for EX-A11862 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.