Einecs 223-651-4
TL;DR: Einecs 223-651-4 (CAS 4003-79-6) is a chemical compound with molecular formula C28H36O6 and molecular weight 468.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: KST-1A4780, 17,20alpha,21-Trihydroxypregna-1,4-diene-3,11-dione 20-acetate, 17,20alpha,21-trihydroxypregna-1,4-diene-3,11-dione20-acetate, (4'r,5's,8''s,9''s,10''r,13''s,14''s)-10'',13''-dimethyl-3'',11''-dioxo-3'',6'',7'',8'',9'',10'',11'',12'',13'',14'',15'',16''-dodecahydrodispiro[cyclopentane-1,2'-[1,3]dioxane-4',17''-cyclopenta[a]phenanthren]-5'-yl acetate, (1''R,3''aS,3''bS,5'S,9''aR,9''bS,11''aS)-9''a,11''a-Dimethyl-7'',10''-dioxo-2'',3'',3''a,3''b,4'',5'',7'',9''a,9''b,10'',11'',11''a-dodecahydrodispiro[cyclopentane-1,2'-[1,3]dioxane-4',1''-cyclopenta[a]phenanthren]-5'-yl acetate
| Molecular Formula | C28H36O6 |
|---|---|
| Molecular Weight | 468.25 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 468.2512 |
| Heavy Atoms | 34 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 4003-79-6 |
|---|---|
| SMILES | CC(=O)O[C@H]1COC2(CCCC2)O[C@@]13CC[C@@H]4[C@@]3(CC(=O)[C@H]5[C@H]4CCC6=CC(=O)C=C[C@]56C)C |
| InChIKey | HYOHVBICKLCUDV-QPYVESRESA-N |
Product Overview
Einecs 223-651-4 (CAS 4003-79-6), with molecular formula C28H36O6 and molecular weight 468.25 g/mol.
Chemical Property Profile of Einecs 223-651-4
Property Insights of Einecs 223-651-4
The XLogP value of 3.2 indicates that Einecs 223-651-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 223-651-4. Following Lipinski's Rule of Five, Einecs 223-651-4 has 0 hydrogen bond donor(s) and 6 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 223-651-4?
The CAS number of Einecs 223-651-4 is 4003-79-6.
What is the molecular formula of Einecs 223-651-4?
The molecular formula of Einecs 223-651-4 is C28H36O6.
What is the molecular weight of Einecs 223-651-4?
The molecular weight of Einecs 223-651-4 is 468.25 g/mol.
Where can I buy Einecs 223-651-4?
You can request a quote for Einecs 223-651-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 223-651-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 223-651-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.