Nerolidyl diphosphate
TL;DR: Nerolidyl diphosphate (CAS 40716-67-4) is a chemical compound with molecular formula C15H28O7P2 and molecular weight 382.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phosphono [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate
Also Known As: Nerolidyl diphosphate, Nerolidyl pyrophosphate, Nerolidyl pyrophosphate, (6E)-(+/-)-, Nerolidyl diphosphate, , (6E)-(+/-)-, (6E)-(+/-)-nerolidyl pyrophosphate
| Molecular Formula | C15H28O7P2 |
|---|---|
| Molecular Weight | 382.13 g/mol |
| LogP | 4.6303 |
| Topological Polar Surface Area | 113.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 382.131 |
| Heavy Atoms | 24 |
| Complexity | 572.37164 |
Chemical Identifiers
| CAS Number | 40716-67-4 |
|---|---|
| SMILES | CC(=CCC/C(=C/CCC(C)(C=C)OP(=O)(O)OP(=O)(O)O)/C)C |
Product Overview
Nerolidyl diphosphate (CAS 40716-67-4), with molecular formula C15H28O7P2 and molecular weight 382.13 g/mol. IUPAC: phosphono [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate.
Chemical Property Profile of Nerolidyl diphosphate
Property Insights of Nerolidyl diphosphate
The XLogP value of 4.6303 indicates that Nerolidyl diphosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Nerolidyl diphosphate. Following Lipinski's Rule of Five, Nerolidyl diphosphate has 3 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 Nerolidyl diphosphate?
The CAS number of Nerolidyl diphosphate is 40716-67-4.
What is the molecular formula of Nerolidyl diphosphate?
The molecular formula of Nerolidyl diphosphate is C15H28O7P2.
What is the molecular weight of Nerolidyl diphosphate?
The molecular weight of Nerolidyl diphosphate is 382.13 g/mol.
Where can I buy Nerolidyl diphosphate?
You can request a quote for Nerolidyl diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nerolidyl diphosphate?
Yes, KEHONG BIO provides custom synthesis services for Nerolidyl diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.