AF-399/41319115
TL;DR: AF-399/41319115 (CAS 378774-45-9) is a chemical compound with molecular formula C20H20BrN3O3S and molecular weight 461.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-one
Also Known As: AF-399/41319115, (Z)-5-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)-2-(2,6-dimethylmorpholino)thiazol-4(5H)-one, (5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-one, 2-(2,6-dimethylmorpholin-4-yl)-5-(5-bromo-2-oxo-1-prop-2-enylbenzo[d]azolin-3- ylidene)-1,3-thiazolin-4-one, (3Z)-5-bromo-3-[2-(2,6-dimethylmorpholin-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C20H20BrN3O3S |
|---|---|
| Molecular Weight | 461.04 g/mol |
| LogP | 3.4314 |
| Topological Polar Surface Area | 62.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 461.0409 |
| Heavy Atoms | 28 |
| Complexity | 932.62366 |
Chemical Identifiers
| CAS Number | 378774-45-9 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C2=NC(=O)/C(=C/3\C4=C(C=CC(=C4)Br)N(C3=O)CC=C)/S2 |
Product Overview
AF-399/41319115 (CAS 378774-45-9), with molecular formula C20H20BrN3O3S and molecular weight 461.04 g/mol. IUPAC: (5Z)-5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-one.
Chemical Property Profile of AF-399/41319115
Property Insights of AF-399/41319115
The XLogP value of 3.4314 indicates that AF-399/41319115 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41319115. Following Lipinski's Rule of Five, AF-399/41319115 has 0 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 AF-399/41319115?
The CAS number of AF-399/41319115 is 378774-45-9.
What is the molecular formula of AF-399/41319115?
The molecular formula of AF-399/41319115 is C20H20BrN3O3S.
What is the molecular weight of AF-399/41319115?
The molecular weight of AF-399/41319115 is 461.04 g/mol.
Where can I buy AF-399/41319115?
You can request a quote for AF-399/41319115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41319115?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41319115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.