AI3-29549
TL;DR: AI3-29549 (CAS 72542-56-4) is a chemical compound with molecular formula C14H28N3O4PS3 and molecular weight 429.09796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-[[tert-butyl-(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Also Known As: LINLIUWEI, AI3-29549, U-56295, N-((((((5,5-Dimethyl-1,3,2-dioxaphosphorinan-2-yl)(1,1-dimethylethyl)amino)thio)methylamino)carbonyl)oxy)ethanimidothioic acid methyl ester P-sulfide, DIMETHYL-1,3,2-DIOXAPHOSPHORINAN-2-YL)(1,1-DIMETHYLETHYL)THIO)METHYLAMINO)CARBONYL)OXY)ETHANIMIDOTHIOIC ACID METHYL ESTER, P-SULFIDE, N-(((((5,5-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H28N3O4PS3 |
| Molecular Weight | 429.09796 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.09796 Da |
| Heavy Atoms | 25 |
| Complexity | 552.0 |
| SMILES | CC(=NOC(=O)N(C)SN(C(C)(C)C)P1(=S)OCC(CO1)(C)C)SC |
| InChIKey | ATEBGFOYQXZUEB-UHFFFAOYSA-N |
Chemical Property Profile of AI3-29549
Property Insights of AI3-29549
The XLogP value of 4.8 indicates that AI3-29549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting AI3-29549 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AI3-29549 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AI3-29549?
The CAS number of AI3-29549 is 72542-56-4.
What is the molecular formula of AI3-29549?
The molecular formula of AI3-29549 is C14H28N3O4PS3.
What is the molecular weight of AI3-29549?
The molecular weight of AI3-29549 is 429.09796 g/mol.
Where can I buy AI3-29549?
You can request a quote for AI3-29549 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AI3-29549?
Yes, CoreyChem provides custom synthesis services for AI3-29549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.