CAS 126578-22-1 - C17H16N2O6
TL;DR: CAS 126578-22-1 - C17H16N2O6 (CAS 126578-22-1) is a chemical compound with molecular formula C17H16N2O6 and molecular weight 344.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4R,5R,6S)-5-hydroxy-11-methyl-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl benzoate
Also Known As: ((2R,3R,3aS,9aR)-3-Hydroxy-7-methyl-6-oxo-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2-yl)methyl benzoate
| Molecular Formula | C17H16N2O6 |
|---|---|
| Molecular Weight | 344.10 g/mol |
| LogP | 0.42802 |
| Topological Polar Surface Area | 99.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.10083 |
| Heavy Atoms | 25 |
| Complexity | 865.18695 |
Chemical Identifiers
| CAS Number | 126578-22-1 |
|---|---|
| SMILES | CC1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)O)OC2=NC1=O |
Product Overview
CAS 126578-22-1 - C17H16N2O6 (CAS 126578-22-1), with molecular formula C17H16N2O6 and molecular weight 344.10 g/mol. IUPAC: [(2R,4R,5R,6S)-5-hydroxy-11-methyl-10-oxo-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-4-yl]methyl benzoate.
Chemical Property Profile of CAS 126578-22-1 - C17H16N2O6
Property Insights of CAS 126578-22-1 - C17H16N2O6
The XLogP value of 0.42802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CAS 126578-22-1 - C17H16N2O6. The TPSA of 99.88 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 126578-22-1 - C17H16N2O6. Following Lipinski's Rule of Five, CAS 126578-22-1 - C17H16N2O6 has 1 hydrogen bond donor(s) and 7 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 CAS 126578-22-1 - C17H16N2O6?
The CAS number of CAS 126578-22-1 - C17H16N2O6 is 126578-22-1.
What is the molecular formula of CAS 126578-22-1 - C17H16N2O6?
The molecular formula of CAS 126578-22-1 - C17H16N2O6 is C17H16N2O6.
What is the molecular weight of CAS 126578-22-1 - C17H16N2O6?
The molecular weight of CAS 126578-22-1 - C17H16N2O6 is 344.10 g/mol.
Where can I buy CAS 126578-22-1 - C17H16N2O6?
You can request a quote for CAS 126578-22-1 - C17H16N2O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 126578-22-1 - C17H16N2O6?
Yes, KEHONG BIO provides custom synthesis services for CAS 126578-22-1 - C17H16N2O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.