2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid
TL;DR: 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid (CAS 57322-20-0) is a chemical compound with molecular formula C21H13O6P and molecular weight 392.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3'-dioxo-1,1'-spirobi[2,1λ5-benzoxaphosphole]-1-yl)benzoic acid
Also Known As: 2-(3,3'-dioxo-1,1'-spirobi[2,1, Benzoic acid, 2-(3,3'-dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)-, J1.693.312K, 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid, 2-(3,3'-dioxo-1,1'-spirobi[2,1lambda5-benzoxaphosphole]-1-yl)benz
| Molecular Formula | C21H13O6P |
|---|---|
| Molecular Weight | 392.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.04498 |
| Heavy Atoms | 28 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 57322-20-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OP23(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5C(=O)O |
| InChIKey | KGCDZMDTGSWODN-UHFFFAOYSA-N |
Product Overview
2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid (CAS 57322-20-0), with molecular formula C21H13O6P and molecular weight 392.04 g/mol. IUPAC: 2-(3,3'-dioxo-1,1'-spirobi[2,1λ5-benzoxaphosphole]-1-yl)benzoic acid.
Chemical Property Profile of 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid
Property Insights of 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid
The XLogP value of 3.8 indicates that 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid. Following Lipinski's Rule of Five, 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid has 1 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 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid?
The CAS number of 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid is 57322-20-0.
What is the molecular formula of 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid?
The molecular formula of 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid is C21H13O6P.
What is the molecular weight of 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid?
The molecular weight of 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid is 392.04 g/mol.
Where can I buy 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid?
You can request a quote for 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,3'-Dioxo-1,1'-spirobi(2,1-benzoxaphosphol)-1(3'H,3H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.