2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide
TL;DR: 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide (CAS 93672-50-5) is a chemical compound with molecular formula C6H9O4P and molecular weight 176.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8,9-trioxa-1λ5-phosphatricyclo[3.3.1.13,7]decane 1-oxide
Also Known As: IQCIAQZIMSFUIR-UHFFFAOYSA-, IQCIAQZIMSFUIR-UHFFFAOYSA, o-Pyrocatechuic acid, sodium salt, 2,8,9-trioxa-1-phosphatricyclo[3.3.1.13,7]decane 1-oxide, Cyclohexan-1a,3a,5a-phos-phorsA currencyureester
| Molecular Formula | C6H9O4P |
|---|---|
| Molecular Weight | 176.02 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.02385 |
| Heavy Atoms | 11 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 93672-50-5 |
|---|---|
| SMILES | C1C2CC3CC1OP(=O)(O2)O3 |
| InChIKey | IQCIAQZIMSFUIR-UHFFFAOYSA-N |
Product Overview
2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide (CAS 93672-50-5), with molecular formula C6H9O4P and molecular weight 176.02 g/mol. IUPAC: 2,8,9-trioxa-1λ5-phosphatricyclo[3.3.1.13,7]decane 1-oxide.
Chemical Property Profile of 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide
Property Insights of 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide. With a topological polar surface area (TPSA) of 44.8 Ų, 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide has 0 hydrogen bond donor(s) and 4 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 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide?
The CAS number of 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide is 93672-50-5.
What is the molecular formula of 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide?
The molecular formula of 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide is C6H9O4P.
What is the molecular weight of 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide?
The molecular weight of 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide is 176.02 g/mol.
Where can I buy 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide?
You can request a quote for 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2,8,9-Trioxa-1-phosphatricyclo(3.3.1.13,7)decane, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.