Einecs 245-809-1
TL;DR: Einecs 245-809-1 (CAS 23655-69-8) is a chemical compound with molecular formula C25H34O6 and molecular weight 430.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(10R,14S,15R)-15-acetyl-10,14-dimethyl-7-oxo-16,18-dioxapentacyclo[13.3.2.01,14.02,11.05,10]icos-5-en-17-yl]propanoic acid
Also Known As: 4,4-[ dioxy]butyricacid, EINECS 245-809-1, 4,4-[(3,20-Dioxopregn-4-ene-14,17-diyl)dioxy]butyric acid, 4,4-((3,20-Dioxopregn-4-ene-14,17-diyl)dioxy)butyric acid, Butanoic acid, 4,4-((3,20-dioxopregn-4-ene-14,17-diyl)bis(oxy))-
| Molecular Formula | C25H34O6 |
|---|---|
| Molecular Weight | 430.24 g/mol |
| LogP | 4.2064 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.23553 |
| Heavy Atoms | 31 |
| Complexity | 877.238 |
Chemical Identifiers
| CAS Number | 23655-69-8 |
|---|---|
| SMILES | CC(=O)[C@@]12CCC3([C@@]1(CCC4C3CCC5=CC(=O)CC[C@]45C)C)OC(O2)CCC(=O)O |
Product Overview
Einecs 245-809-1 (CAS 23655-69-8), with molecular formula C25H34O6 and molecular weight 430.24 g/mol. IUPAC: 3-[(10R,14S,15R)-15-acetyl-10,14-dimethyl-7-oxo-16,18-dioxapentacyclo[13.3.2.01,14.02,11.05,10]icos-5-en-17-yl]propanoic acid.
Chemical Property Profile of Einecs 245-809-1
Property Insights of Einecs 245-809-1
The XLogP value of 4.2064 indicates that Einecs 245-809-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 245-809-1. Following Lipinski's Rule of Five, Einecs 245-809-1 has 1 hydrogen bond donor(s) and 5 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 Einecs 245-809-1?
The CAS number of Einecs 245-809-1 is 23655-69-8.
What is the molecular formula of Einecs 245-809-1?
The molecular formula of Einecs 245-809-1 is C25H34O6.
What is the molecular weight of Einecs 245-809-1?
The molecular weight of Einecs 245-809-1 is 430.24 g/mol.
Where can I buy Einecs 245-809-1?
You can request a quote for Einecs 245-809-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 245-809-1?
Yes, KEHONG BIO provides custom synthesis services for Einecs 245-809-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.