α-松油基焦磷酸
TL;DR: α-松油基焦磷酸 (CAS 143563-42-2) is a chemical compound with molecular formula C10H20O7P2 and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-松油基焦磷酸
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphono hydrogen phosphate
Also Known As: ATOPP, alpha-Terpinyl pyrophosphate, 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphono hydrogen phosphate, 2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl trihydrogen diphosphate, RefChem:111394
| Molecular Formula | C10H20O7P2 |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.06842 |
| Heavy Atoms | 19 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 143563-42-2 |
|---|---|
| SMILES | CC1=CCC(CC1)C(C)(C)OP(=O)(O)OP(=O)(O)O |
| InChIKey | VPIGSRIRALQQKD-UHFFFAOYSA-N |
Product Overview
α-松油基焦磷酸 (CAS 143563-42-2), with molecular formula C10H20O7P2 and molecular weight 314.07 g/mol. IUPAC: 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl phosphono hydrogen phosphate.
Chemical Property Profile of α-松油基焦磷酸
Property Insights of α-松油基焦磷酸
The XLogP value of -0.3 indicates that α-松油基焦磷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for α-松油基焦磷酸. Following Lipinski's Rule of Five, α-松油基焦磷酸 has 3 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 α-松油基焦磷酸?
The CAS number of α-松油基焦磷酸 is 143563-42-2.
What is the molecular formula of α-松油基焦磷酸?
The molecular formula of α-松油基焦磷酸 is C10H20O7P2.
What is the molecular weight of α-松油基焦磷酸?
The molecular weight of α-松油基焦磷酸 is 314.07 g/mol.
Where can I buy α-松油基焦磷酸?
You can request a quote for α-松油基焦磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-松油基焦磷酸?
Yes, KEHONG BIO provides custom synthesis services for α-松油基焦磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.