AF-399/41834947
TL;DR: AF-399/41834947 (CAS 1212328-68-1) is a chemical compound with molecular formula C25H19ClN2O4S2 and molecular weight 510.0475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-(4-chlorophenyl)-9-(4-hydroxyphenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione
Also Known As: AF-399/41834947, 7-(4-chlorophenyl)-10-(4-hydroxyphenyl)-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione, 14-(4-Chlorophenyl)-9-(4-hydroxyphenyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione, 14-(4-chlorophenyl)-3-(4-hydroxyphenyl)-5,9-dithia-7,14-diazapentacyclo[9.5.1. 0<2,10>.0<4,8>.0<12,16>]heptadec-4(8)-ene-6,13,15-trione, 7-(4-chlorophenyl)-10-(4-hydroxyphenyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione
Technical Specifications
| Molecular Formula | C25H19ClN2O4S2 |
| Molecular Weight | 510.0475 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 510.0475 Da |
| Heavy Atoms | 34 |
| Complexity | 974.0 |
| SMILES | C1C2C3C(C1C4C2C(=O)N(C4=O)C5=CC=C(C=C5)Cl)SC6=C(C3C7=CC=C(C=C7)O)SC(=O)N6 |
| InChIKey | KINQHVRENPCKPD-UHFFFAOYSA-N |
Chemical Property Profile of AF-399/41834947
Property Insights of AF-399/41834947
The XLogP value of 4.0 indicates that AF-399/41834947 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41834947. Following Lipinski's Rule of Five, AF-399/41834947 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of AF-399/41834947?
The CAS number of AF-399/41834947 is 1212328-68-1.
What is the molecular formula of AF-399/41834947?
The molecular formula of AF-399/41834947 is C25H19ClN2O4S2.
What is the molecular weight of AF-399/41834947?
The molecular weight of AF-399/41834947 is 510.0475 g/mol.
Where can I buy AF-399/41834947?
You can request a quote for AF-399/41834947 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AF-399/41834947?
Yes, CoreyChem provides custom synthesis services for AF-399/41834947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.