AN-988/40840377
TL;DR: AN-988/40840377 (CAS 677306-74-0) is a chemical compound with molecular formula C16H9BrN2O5S and molecular weight 419.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: AN-988/40840377, 5-bromo-2-{5-[(E)-(4-hydroxy-6-oxo-2-thioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoic acid, (Z)-5-bromo-2-(5-((2-mercapto-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl)furan-2-yl)benzoic acid, 5-bromo-2-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-furyl]benzoic Acid, 5-bromo-2-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid
| Molecular Formula | C16H9BrN2O5S |
|---|---|
| Molecular Weight | 419.94 g/mol |
| LogP | 2.3216 |
| Topological Polar Surface Area | 108.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.94156 |
| Heavy Atoms | 25 |
| Complexity | 941.18475 |
Chemical Identifiers
| CAS Number | 677306-74-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O |
Product Overview
AN-988/40840377 (CAS 677306-74-0), with molecular formula C16H9BrN2O5S and molecular weight 419.94 g/mol. IUPAC: 5-bromo-2-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of AN-988/40840377
Property Insights of AN-988/40840377
The XLogP value of 2.3216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-988/40840377. The TPSA of 108.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40840377. Following Lipinski's Rule of Five, AN-988/40840377 has 3 hydrogen bond donor(s) and 5 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-988/40840377?
The CAS number of AN-988/40840377 is 677306-74-0.
What is the molecular formula of AN-988/40840377?
The molecular formula of AN-988/40840377 is C16H9BrN2O5S.
What is the molecular weight of AN-988/40840377?
The molecular weight of AN-988/40840377 is 419.94 g/mol.
Where can I buy AN-988/40840377?
You can request a quote for AN-988/40840377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40840377?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40840377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.