AE-848/33590038
TL;DR: AE-848/33590038 (CAS 6503-50-0) is a chemical compound with molecular formula C24H17Cl3N3OPS and molecular weight 530.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-oxo-2-(trichloromethyl)-2,3-dihydro-1,3,5-thiadiazin-6-yl]-2-(triphenyl-λ5-phosphanylidene)acetonitrile
Also Known As: AE-848/33590038, (4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl)(triphenyl-lambda~5~-phosphanyl)acetonitrile, [4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenylphosphoranylidene)acetonitrile, 2-[4-oxo-2-(trichloromethyl)-2,3-dihydro-1,3,5-thiadiazin-6-yl]-2-(triphenyl-, [4-Oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenyl-lambda~5~-phosphanylidene)acetonitrile
| Molecular Formula | C24H17Cl3N3OPS |
|---|---|
| Molecular Weight | 530.99 g/mol |
| LogP | 5.22768 |
| Topological Polar Surface Area | 65.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 530.98956 |
| Heavy Atoms | 33 |
| Complexity | 1183.8658 |
Chemical Identifiers
| CAS Number | 6503-50-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=C(C#N)C2=NC(=O)NC(S2)C(Cl)(Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
AE-848/33590038 (CAS 6503-50-0), with molecular formula C24H17Cl3N3OPS and molecular weight 530.99 g/mol. IUPAC: 2-[4-oxo-2-(trichloromethyl)-2,3-dihydro-1,3,5-thiadiazin-6-yl]-2-(triphenyl-λ5-phosphanylidene)acetonitrile.
Chemical Property Profile of AE-848/33590038
Property Insights of AE-848/33590038
The XLogP value of 5.22768 indicates that AE-848/33590038 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/33590038. Following Lipinski's Rule of Five, AE-848/33590038 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/33590038?
The CAS number of AE-848/33590038 is 6503-50-0.
What is the molecular formula of AE-848/33590038?
The molecular formula of AE-848/33590038 is C24H17Cl3N3OPS.
What is the molecular weight of AE-848/33590038?
The molecular weight of AE-848/33590038 is 530.99 g/mol.
Where can I buy AE-848/33590038?
You can request a quote for AE-848/33590038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/33590038?
Yes, KEHONG BIO provides custom synthesis services for AE-848/33590038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.