AN-940/40848336
TL;DR: AN-940/40848336 (CAS 496874-24-9) is a chemical compound with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxy-1-methylindol-3-yl)-3-prop-2-enyl-2-sulfanylideneimidazol-4-one
Also Known As: AN-940/40848336, (3Z)-1-methyl-3-(5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-ylidene)indol-2-one, 3-(1-allyl-5-oxo-2-thioxo-4-imidazolidinylidene)-1-methyl-1,3-dihydro-2H-indol-2-one, (3E)-1-methyl-3-(5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-ylidene)indol-2-one, 1-methyl-3-(5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-ylidene)indol-2-one
| Molecular Formula | C15H13N3O2S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 1.9861 |
| Topological Polar Surface Area | 57.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.07285 |
| Heavy Atoms | 21 |
| Complexity | 819.6782 |
Chemical Identifiers
| CAS Number | 496874-24-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1O)C3=NC(=S)N(C3=O)CC=C |
Product Overview
AN-940/40848336 (CAS 496874-24-9), with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol. IUPAC: 5-(2-hydroxy-1-methylindol-3-yl)-3-prop-2-enyl-2-sulfanylideneimidazol-4-one.
Chemical Property Profile of AN-940/40848336
Property Insights of AN-940/40848336
The XLogP value of 1.9861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-940/40848336. With a topological polar surface area (TPSA) of 57.83 Ų, AN-940/40848336 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-940/40848336 has 1 hydrogen bond donor(s) and 3 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-940/40848336?
The CAS number of AN-940/40848336 is 496874-24-9.
What is the molecular formula of AN-940/40848336?
The molecular formula of AN-940/40848336 is C15H13N3O2S.
What is the molecular weight of AN-940/40848336?
The molecular weight of AN-940/40848336 is 299.07 g/mol.
Where can I buy AN-940/40848336?
You can request a quote for AN-940/40848336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-940/40848336?
Yes, KEHONG BIO provides custom synthesis services for AN-940/40848336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.