ent-Copalyl diphosphate
TL;DR: ent-Copalyl diphosphate (CAS 21738-30-7) is a chemical compound with molecular formula C20H36O7P2 and molecular weight 450.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] phosphono hydrogen phosphate
Also Known As: ent-Copalyl diphosphate, Copalyl pyrophosphate, Copalyl diphosphate, ent-CDP, (-)-Copalyl diphosphate
| Molecular Formula | C20H36O7P2 |
|---|---|
| Molecular Weight | 450.19 g/mol |
| LogP | 5.738 |
| Topological Polar Surface Area | 113.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.19363 |
| Heavy Atoms | 29 |
| Complexity | 739.11176 |
Chemical Identifiers
| CAS Number | 21738-30-7 |
|---|---|
| SMILES | C/C(=C\COP(=O)(O)OP(=O)(O)O)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C |
Product Overview
ent-Copalyl diphosphate (CAS 21738-30-7), with molecular formula C20H36O7P2 and molecular weight 450.19 g/mol. IUPAC: [(E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] phosphono hydrogen phosphate.
Chemical Property Profile of ent-Copalyl diphosphate
Property Insights of ent-Copalyl diphosphate
The XLogP value of 5.738 indicates that ent-Copalyl 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 ent-Copalyl diphosphate. Following Lipinski's Rule of Five, ent-Copalyl diphosphate has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ent-Copalyl diphosphate?
The CAS number of ent-Copalyl diphosphate is 21738-30-7.
What is the molecular formula of ent-Copalyl diphosphate?
The molecular formula of ent-Copalyl diphosphate is C20H36O7P2.
What is the molecular weight of ent-Copalyl diphosphate?
The molecular weight of ent-Copalyl diphosphate is 450.19 g/mol.
Where can I buy ent-Copalyl diphosphate?
You can request a quote for ent-Copalyl diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ent-Copalyl diphosphate?
Yes, KEHONG BIO provides custom synthesis services for ent-Copalyl diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.