2,8,9-Trioxa-1-phosphadamantane
TL;DR: 2,8,9-Trioxa-1-phosphadamantane (CAS 281-33-4) is a chemical compound with molecular formula C1C2CC3CC1OP(O2)O3 and molecular weight 160.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8,9-trioxa-1-phosphatricyclo[3.3.1.13,7]decane
Also Known As: 2,8,9-Trioxa-1-phosphadamantane, 1,3,5-Cyclohexanetriyl phosphite, 1,5-Cyclohexanetriyl phosphite, 2,8,9-trioxa-1-phosphaadamantane, trioxa-2,8,9 phospha-1 tricyclodecane
| Molecular Formula | C1C2CC3CC1OP(O2)O3 |
|---|---|
| Molecular Weight | 160.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.02893 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 281-33-4 |
|---|---|
| SMILES | C1C2CC3CC1OP(O2)O3 |
| InChIKey | ITRBZCAAXSQYAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,8,9-Trioxa-1-phosphadamantane (CAS 281-33-4), with molecular formula C1C2CC3CC1OP(O2)O3 and molecular weight 160.03 g/mol. IUPAC: 2,8,9-trioxa-1-phosphatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 2,8,9-Trioxa-1-phosphadamantane
Property Insights of 2,8,9-Trioxa-1-phosphadamantane
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,8,9-Trioxa-1-phosphadamantane. With a topological polar surface area (TPSA) of 27.7 Ų, 2,8,9-Trioxa-1-phosphadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,8,9-Trioxa-1-phosphadamantane has 0 hydrogen bond donor(s) and 3 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-phosphadamantane?
The CAS number of 2,8,9-Trioxa-1-phosphadamantane is 281-33-4.
What is the molecular formula of 2,8,9-Trioxa-1-phosphadamantane?
The molecular formula of 2,8,9-Trioxa-1-phosphadamantane is C1C2CC3CC1OP(O2)O3.
What is the molecular weight of 2,8,9-Trioxa-1-phosphadamantane?
The molecular weight of 2,8,9-Trioxa-1-phosphadamantane is 160.03 g/mol.
Where can I buy 2,8,9-Trioxa-1-phosphadamantane?
You can request a quote for 2,8,9-Trioxa-1-phosphadamantane 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-phosphadamantane?
Yes, KEHONG BIO provides custom synthesis services for 2,8,9-Trioxa-1-phosphadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.