3,7-二甲基辛-2,6-二烯基磷酸氢酯
TL;DR: 3,7-二甲基辛-2,6-二烯基磷酸氢酯 (CAS 13100-81-7) 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.
3,7-二甲基辛-2,6-二烯基磷酸氢酯
3,7-dimethylocta-2,6-dienyl phosphono hydrogen phosphate
Also Known As: Neryl diphosphate, Geranyl diphosphate, polyprenylpyrophosphate, polyprenyl pyrophosphate, (C5-H8)mult-C5-H12-O7-P2
| Molecular Formula | C10H20O7P2 |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.06842 |
| Heavy Atoms | 19 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 13100-81-7 |
|---|---|
| SMILES | CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C |
| InChIKey | GVVPGTZRZFNKDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-二甲基辛-2,6-二烯基磷酸氢酯 (CAS 13100-81-7), with molecular formula C10H20O7P2 and molecular weight 314.07 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienyl phosphono hydrogen phosphate.
Chemical Property Profile of 3,7-二甲基辛-2,6-二烯基磷酸氢酯
Property Insights of 3,7-二甲基辛-2,6-二烯基磷酸氢酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-二甲基辛-2,6-二烯基磷酸氢酯. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-二甲基辛-2,6-二烯基磷酸氢酯. Following Lipinski's Rule of Five, 3,7-二甲基辛-2,6-二烯基磷酸氢酯 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 3,7-二甲基辛-2,6-二烯基磷酸氢酯?
The CAS number of 3,7-二甲基辛-2,6-二烯基磷酸氢酯 is 13100-81-7.
What is the molecular formula of 3,7-二甲基辛-2,6-二烯基磷酸氢酯?
The molecular formula of 3,7-二甲基辛-2,6-二烯基磷酸氢酯 is C10H20O7P2.
What is the molecular weight of 3,7-二甲基辛-2,6-二烯基磷酸氢酯?
The molecular weight of 3,7-二甲基辛-2,6-二烯基磷酸氢酯 is 314.07 g/mol.
Where can I buy 3,7-二甲基辛-2,6-二烯基磷酸氢酯?
You can request a quote for 3,7-二甲基辛-2,6-二烯基磷酸氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-二甲基辛-2,6-二烯基磷酸氢酯?
Yes, KEHONG BIO provides custom synthesis services for 3,7-二甲基辛-2,6-二烯基磷酸氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.