三甲基三氟甲基硅烷
TL;DR: 三甲基三氟甲基硅烷 (CAS 81290-20-2) is a chemical compound with molecular formula C18H23NO4 and molecular weight 317.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三甲基三氟甲基硅烷
(8R,9S,13S,14S,17S)-13-methyl-4-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 4-Nitroestradiol, 4-nitro-17beta-estradiol, 4-Nitroestra-1,3,5(10)-triene-3,17beta-diol, 4-nitroestra-1,3,5(10)-triene-3,17, A-diol
| Molecular Formula | C18H23NO4 |
|---|---|
| Molecular Weight | 317.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 317.16272 |
| Heavy Atoms | 23 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 81290-20-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4[N+](=O)[O-])O |
| InChIKey | OMZSNIQSXZEIKB-ZHIYBZGJSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三甲基三氟甲基硅烷 (CAS 81290-20-2), with molecular formula C18H23NO4 and molecular weight 317.16 g/mol. IUPAC: (8R,9S,13S,14S,17S)-13-methyl-4-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 三甲基三氟甲基硅烷
Property Insights of 三甲基三氟甲基硅烷
The XLogP value of 4.4 indicates that 三甲基三氟甲基硅烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 三甲基三氟甲基硅烷. Following Lipinski's Rule of Five, 三甲基三氟甲基硅烷 has 2 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 三甲基三氟甲基硅烷?
The CAS number of 三甲基三氟甲基硅烷 is 81290-20-2.
What is the molecular formula of 三甲基三氟甲基硅烷?
The molecular formula of 三甲基三氟甲基硅烷 is C18H23NO4.
What is the molecular weight of 三甲基三氟甲基硅烷?
The molecular weight of 三甲基三氟甲基硅烷 is 317.16 g/mol.
Where can I buy 三甲基三氟甲基硅烷?
You can request a quote for 三甲基三氟甲基硅烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三甲基三氟甲基硅烷?
Yes, KEHONG BIO provides custom synthesis services for 三甲基三氟甲基硅烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.