EINECS 261-378-2
TL;DR: EINECS 261-378-2 (CAS 58652-19-0) is a chemical compound with molecular formula C23H30O4 and molecular weight 370.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S)-17-acetyl-13-methyl-6-methylidene-3-oxo-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 17-acetyl-6-methylidene-3-oxoestr-4-en-17-yl acetate, 6-Methylidene-3,20-dioxo-19-norpregn-4-en-17-yl acetate, [(8R,9S,10R,13S,14S)-17-acetyl-13-methyl-6-methylidene-3-oxo-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate, (17xi)-6-Methylidene-3,20-dioxo-19-norpregn-4-en-17-yl acetate
| Molecular Formula | C23H30O4 |
|---|---|
| Molecular Weight | 370.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.21442 |
| Heavy Atoms | 27 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 58652-19-0 |
|---|---|
| SMILES | CC(=O)C1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=C)C4=CC(=O)CC[C@H]34)C)OC(=O)C |
| InChIKey | YBBDZPBFRFPTJE-AFHJIISKSA-N |
Product Overview
EINECS 261-378-2 (CAS 58652-19-0), with molecular formula C23H30O4 and molecular weight 370.21 g/mol. IUPAC: [(8R,9S,10R,13S,14S)-17-acetyl-13-methyl-6-methylidene-3-oxo-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of EINECS 261-378-2
Property Insights of EINECS 261-378-2
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 261-378-2. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 261-378-2. Following Lipinski's Rule of Five, EINECS 261-378-2 has 0 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 EINECS 261-378-2?
The CAS number of EINECS 261-378-2 is 58652-19-0.
What is the molecular formula of EINECS 261-378-2?
The molecular formula of EINECS 261-378-2 is C23H30O4.
What is the molecular weight of EINECS 261-378-2?
The molecular weight of EINECS 261-378-2 is 370.21 g/mol.
Where can I buy EINECS 261-378-2?
You can request a quote for EINECS 261-378-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 261-378-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 261-378-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.