Calcium 4-dodecylphenolate
TL;DR: Calcium 4-dodecylphenolate (CAS 50909-89-2) is a chemical compound with molecular formula C23H33NO4 and molecular weight 387.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid
Also Known As: Calcium 4-dodecylphenolate, Progesterone 3-(O-carboxymethyl)oxime, Acetic acid, (((20-oxopregn-4-en-3-ylidene)amino)oxy)-, 2-[(17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid
| Molecular Formula | C23H33NO4 |
|---|---|
| Molecular Weight | 387.24 g/mol |
| LogP | 4.6116 |
| Topological Polar Surface Area | 75.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.24097 |
| Heavy Atoms | 28 |
| Complexity | 740.88434 |
Chemical Identifiers
| CAS Number | 50909-89-2 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=NOCC(=O)O)CCC34C)C |
Product Overview
Calcium 4-dodecylphenolate (CAS 50909-89-2), with molecular formula C23H33NO4 and molecular weight 387.24 g/mol. IUPAC: 2-[(17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid.
Chemical Property Profile of Calcium 4-dodecylphenolate
Property Insights of Calcium 4-dodecylphenolate
The XLogP value of 4.6116 indicates that Calcium 4-dodecylphenolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium 4-dodecylphenolate. Following Lipinski's Rule of Five, Calcium 4-dodecylphenolate has 1 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 Calcium 4-dodecylphenolate?
The CAS number of Calcium 4-dodecylphenolate is 50909-89-2.
What is the molecular formula of Calcium 4-dodecylphenolate?
The molecular formula of Calcium 4-dodecylphenolate is C23H33NO4.
What is the molecular weight of Calcium 4-dodecylphenolate?
The molecular weight of Calcium 4-dodecylphenolate is 387.24 g/mol.
Where can I buy Calcium 4-dodecylphenolate?
You can request a quote for Calcium 4-dodecylphenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium 4-dodecylphenolate?
Yes, KEHONG BIO provides custom synthesis services for Calcium 4-dodecylphenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.