1,3,2-Dioxaphosphorinane
TL;DR: 1,3,2-Dioxaphosphorinane (CAS 54401-85-3) is a chemical compound with molecular formula C17H20N2O5S and molecular weight 364.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[(2-methoxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 1,3,2-Dioxaphosphorinane, KST-1A5764, (2s,5r,6r)-6-{[methoxy(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(2-methoxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thi, (2S,5R,6R)-6-[(2-methoxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C17H20N2O5S |
|---|---|
| Molecular Weight | 364.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.10928 |
| Heavy Atoms | 25 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 54401-85-3 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)OC)C(=O)O)C |
| InChIKey | CFAPFYIDCNSOLI-GSNLGQFWSA-N |
Product Overview
1,3,2-Dioxaphosphorinane (CAS 54401-85-3), with molecular formula C17H20N2O5S and molecular weight 364.11 g/mol. IUPAC: (2S,5R,6R)-6-[(2-methoxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 1,3,2-Dioxaphosphorinane
Property Insights of 1,3,2-Dioxaphosphorinane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2-Dioxaphosphorinane. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,2-Dioxaphosphorinane. Following Lipinski's Rule of Five, 1,3,2-Dioxaphosphorinane has 2 hydrogen bond donor(s) and 6 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 1,3,2-Dioxaphosphorinane?
The CAS number of 1,3,2-Dioxaphosphorinane is 54401-85-3.
What is the molecular formula of 1,3,2-Dioxaphosphorinane?
The molecular formula of 1,3,2-Dioxaphosphorinane is C17H20N2O5S.
What is the molecular weight of 1,3,2-Dioxaphosphorinane?
The molecular weight of 1,3,2-Dioxaphosphorinane is 364.11 g/mol.
Where can I buy 1,3,2-Dioxaphosphorinane?
You can request a quote for 1,3,2-Dioxaphosphorinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,2-Dioxaphosphorinane?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Dioxaphosphorinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.