16α-甲基二氯松磷酸酯
TL;DR: 16α-甲基二氯松磷酸酯 (CAS 18484-70-3) is a chemical compound with molecular formula C22H29Cl2O7P and molecular weight 506.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16α-甲基二氯松磷酸酯
[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] dihydrogen phosphate
Also Known As: 16alpha-Methyldichlorisone phosphate, 16A-METHYLDICHLORISONE PHOSPHATE, [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] dihydrogen phosphate, Pregna-1,4-diene-3,20-dione, 9,11-dichloro-17-hydroxy-16-methyl-21-(phosphonooxy)-, (11beta,16alpha)-, Pregna-1,4-diene-3,20-dione, 9,11beta-dichloro-17,21-dihydroxy-16alpha-methyl-, 21-(dihydrogen phosphate)
| Molecular Formula | C22H29Cl2O7P |
|---|---|
| Molecular Weight | 506.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 506.10278 |
| Heavy Atoms | 32 |
| Complexity | 975.0 |
Chemical Identifiers
| CAS Number | 18484-70-3 |
|---|---|
| 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 |
| InChIKey | IWXJOGVQEPOQSU-IQSBSNNESA-N |
Product Overview
16α-甲基二氯松磷酸酯 (CAS 18484-70-3), with molecular formula C22H29Cl2O7P and molecular weight 506.10 g/mol. IUPAC: [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] dihydrogen phosphate.
Chemical Property Profile of 16α-甲基二氯松磷酸酯
Property Insights of 16α-甲基二氯松磷酸酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16α-甲基二氯松磷酸酯. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 16α-甲基二氯松磷酸酯. Following Lipinski's Rule of Five, 16α-甲基二氯松磷酸酯 has 3 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-甲基二氯松磷酸酯?
The CAS number of 16α-甲基二氯松磷酸酯 is 18484-70-3.
What is the molecular formula of 16α-甲基二氯松磷酸酯?
The molecular formula of 16α-甲基二氯松磷酸酯 is C22H29Cl2O7P.
What is the molecular weight of 16α-甲基二氯松磷酸酯?
The molecular weight of 16α-甲基二氯松磷酸酯 is 506.10 g/mol.
Where can I buy 16α-甲基二氯松磷酸酯?
You can request a quote for 16α-甲基二氯松磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16α-甲基二氯松磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 16α-甲基二氯松磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.