16α-甲基二氯松磷酸二钠
TL;DR: 16α-甲基二氯松磷酸二钠 (CAS 14635-53-1) is a chemical compound with molecular formula C22H27Cl2Na2O7P and molecular weight 550.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16α-甲基二氯松磷酸二钠
disodium;[2-[(9R,16R,17R)-9,11-dichloro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
Also Known As: 16alpha-Methyldichlorisone phosphate disodium, 16a-Methyl-dichlorisone-21-phosphate disodium, 16A-METHYL-DICHLORISONE-21-DISODIUM PHOSPHATE, disodium [2-[(9R,16R,17R)-9,11-dichloro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate, Pregna-1,4-diene-3,20-dione, 9,11beta-dichloro-17,21-dihydroxy-16alpha-methyl-, 21-(dihydrogen phosphate), disodium salt
| Molecular Formula | C22H27Cl2Na2O7P |
|---|---|
| Molecular Weight | 550.07 g/mol |
| LogP | -3.73 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 550.0667 |
| Heavy Atoms | 34 |
| Complexity | 964.0 |
Chemical Identifiers
| CAS Number | 14635-53-1 |
|---|---|
| SMILES | C[C@@H]1CC2C3CCC4=CC(=O)C=CC4([C@]3(C(CC2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)Cl)Cl)C.[Na+].[Na+] |
| InChIKey | KWCBUDBRAVGLHJ-AQOVLKHPSA-L |
Product Overview
16α-甲基二氯松磷酸二钠 (CAS 14635-53-1), with molecular formula C22H27Cl2Na2O7P and molecular weight 550.07 g/mol. IUPAC: disodium;[2-[(9R,16R,17R)-9,11-dichloro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate.
Chemical Property Profile of 16α-甲基二氯松磷酸二钠
Property Insights of 16α-甲基二氯松磷酸二钠
The XLogP value of -3.73 indicates that 16α-甲基二氯松磷酸二钠 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 16α-甲基二氯松磷酸二钠. Following Lipinski's Rule of Five, 16α-甲基二氯松磷酸二钠 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 16α-甲基二氯松磷酸二钠?
The CAS number of 16α-甲基二氯松磷酸二钠 is 14635-53-1.
What is the molecular formula of 16α-甲基二氯松磷酸二钠?
The molecular formula of 16α-甲基二氯松磷酸二钠 is C22H27Cl2Na2O7P.
What is the molecular weight of 16α-甲基二氯松磷酸二钠?
The molecular weight of 16α-甲基二氯松磷酸二钠 is 550.07 g/mol.
Where can I buy 16α-甲基二氯松磷酸二钠?
You can request a quote for 16α-甲基二氯松磷酸二钠 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16α-甲基二氯松磷酸二钠?
Yes, KEHONG BIO provides custom synthesis services for 16α-甲基二氯松磷酸二钠 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.