1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate
TL;DR: 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate (CAS 1212345-09-9) is a chemical compound with molecular formula C22H23NO7 and molecular weight 413.14746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-hydroxy-5-methyl-9-oxoxanthen-3-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: (R)-1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl 2-((tert-butoxycarbonyl)amino)propanoate, 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate, (1-hydroxy-5-methyl-9-oxoxanthen-3-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Technical Specifications
| Molecular Formula | C22H23NO7 |
| Molecular Weight | 413.14746 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.14746 Da |
| Heavy Atoms | 30 |
| Complexity | 673.0 |
| SMILES | CC1=C2C(=CC=C1)C(=O)C3=C(C=C(C=C3O2)OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)O |
| InChIKey | ZKTDWPOVMYLALE-GFCCVEGCSA-N |
Chemical Property Profile of 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate
Property Insights of 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate
The XLogP value of 4.4 indicates that 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate. Following Lipinski's Rule of Five, 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate?
The CAS number of 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate is 1212345-09-9.
What is the molecular formula of 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate?
The molecular formula of 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate is C22H23NO7.
What is the molecular weight of 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate?
The molecular weight of 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate is 413.14746 g/mol.
Where can I buy 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate?
You can request a quote for 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate?
Yes, CoreyChem provides custom synthesis services for 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl N-(tert-butoxycarbonyl)-D-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.