AN-988/41693080
TL;DR: AN-988/41693080 (CAS 591735-01-2) is a chemical compound with molecular formula C17H16N2O6S and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formyl-2-methoxyphenyl) 1,3-dimethyl-2-oxobenzimidazole-5-sulfonate
Also Known As: AN-988/41693080, 4-formyl-2-methoxyphenyl 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonate, (4-formyl-2-methoxyphenyl) 1,3-dimethyl-2-oxobenzimidazole-5-sulfonate, 4-formyl-2-methoxyphenyl 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-sulfonate
| Molecular Formula | C17H16N2O6S |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 1.4658 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.0729 |
| Heavy Atoms | 26 |
| Complexity | 1173.9166 |
Chemical Identifiers
| CAS Number | 591735-01-2 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)OC3=C(C=C(C=C3)C=O)OC)N(C1=O)C |
Product Overview
AN-988/41693080 (CAS 591735-01-2), with molecular formula C17H16N2O6S and molecular weight 376.07 g/mol. IUPAC: (4-formyl-2-methoxyphenyl) 1,3-dimethyl-2-oxobenzimidazole-5-sulfonate.
Chemical Property Profile of AN-988/41693080
Property Insights of AN-988/41693080
The XLogP value of 1.4658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-988/41693080. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/41693080. Following Lipinski's Rule of Five, AN-988/41693080 has 0 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 AN-988/41693080?
The CAS number of AN-988/41693080 is 591735-01-2.
What is the molecular formula of AN-988/41693080?
The molecular formula of AN-988/41693080 is C17H16N2O6S.
What is the molecular weight of AN-988/41693080?
The molecular weight of AN-988/41693080 is 376.07 g/mol.
Where can I buy AN-988/41693080?
You can request a quote for AN-988/41693080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/41693080?
Yes, KEHONG BIO provides custom synthesis services for AN-988/41693080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.