AF-399/13907005
TL;DR: AF-399/13907005 (CAS 325694-30-2) is a chemical compound with molecular formula C25H21N3O3S and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-ethylsulfanylbenzimidazol-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
Also Known As: AF-399/13907005, 2-{4-[2-(ethylsulfanyl)-1H-benzimidazol-1-yl]-4-oxobutyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, F0733-0055, 2-[4-(2-ethylsulfanylbenzimidazol-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione, 2-(4-(2-(ethylthio)-1H-benzo[d]imidazol-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C25H21N3O3S |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 5.0181 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.13037 |
| Heavy Atoms | 32 |
| Complexity | 1341.2324 |
Chemical Identifiers
| CAS Number | 325694-30-2 |
|---|---|
| SMILES | CCSC1=NC2=CC=CC=C2N1C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
AF-399/13907005 (CAS 325694-30-2), with molecular formula C25H21N3O3S and molecular weight 443.13 g/mol. IUPAC: 2-[4-(2-ethylsulfanylbenzimidazol-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of AF-399/13907005
Property Insights of AF-399/13907005
The XLogP value of 5.0181 indicates that AF-399/13907005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13907005. Following Lipinski's Rule of Five, AF-399/13907005 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/13907005?
The CAS number of AF-399/13907005 is 325694-30-2.
What is the molecular formula of AF-399/13907005?
The molecular formula of AF-399/13907005 is C25H21N3O3S.
What is the molecular weight of AF-399/13907005?
The molecular weight of AF-399/13907005 is 443.13 g/mol.
Where can I buy AF-399/13907005?
You can request a quote for AF-399/13907005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13907005?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13907005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.