EINECS 249-019-8
TL;DR: EINECS 249-019-8 (CAS 28439-53-4) is a chemical compound with molecular formula C24H36O7 and molecular weight 436.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-[(5S,6R,8S,9S,10R,11S,13S,14S,17R)-5,11,17-trihydroxy-6,10,13-trimethyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate
Also Known As: KST-1A3517, 5-alpha,11-beta,17-alpha,21-Tetrahydroxy-6-beta-methylpregnane-3,20-dione 21-acetate, 5,11,17-Trihydroxy-6-methyl-3,20-dioxopregnan-21-yl acetate, (5, A,6
| Molecular Formula | C24H36O7 |
|---|---|
| Molecular Weight | 436.25 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.2461 |
| Heavy Atoms | 31 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 28439-53-4 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4([C@@]1(CC(=O)CC4)O)C)O)C)(C(=O)COC(=O)C)O |
| InChIKey | SKQZWXHBCDJNNV-OMDNDWLBSA-N |
Product Overview
EINECS 249-019-8 (CAS 28439-53-4), with molecular formula C24H36O7 and molecular weight 436.25 g/mol. IUPAC: [2-oxo-2-[(5S,6R,8S,9S,10R,11S,13S,14S,17R)-5,11,17-trihydroxy-6,10,13-trimethyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate.
Chemical Property Profile of EINECS 249-019-8
Property Insights of EINECS 249-019-8
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 249-019-8. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 249-019-8. Following Lipinski's Rule of Five, EINECS 249-019-8 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 EINECS 249-019-8?
The CAS number of EINECS 249-019-8 is 28439-53-4.
What is the molecular formula of EINECS 249-019-8?
The molecular formula of EINECS 249-019-8 is C24H36O7.
What is the molecular weight of EINECS 249-019-8?
The molecular weight of EINECS 249-019-8 is 436.25 g/mol.
Where can I buy EINECS 249-019-8?
You can request a quote for EINECS 249-019-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 249-019-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 249-019-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.