雌三醇
TL;DR: 雌三醇 (CAS 106308-44-5) is a chemical compound with molecular formula C27H36O6 and molecular weight 456.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
雌三醇
[13-methyl-3,17-di(propanoyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] propanoate
Also Known As: estriol, Rufinamide, estriol tripropionate, 1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide, [13-methyl-3,17-di(propanoyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] propanoate
| Molecular Formula | C27H36O6 |
|---|---|
| Molecular Weight | 456.25 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.2512 |
| Heavy Atoms | 33 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 106308-44-5 |
|---|---|
| SMILES | CCC(=O)OC1CC2C3CCC4=C(C3CCC2(C1OC(=O)CC)C)C=CC(=C4)OC(=O)CC |
| InChIKey | ONMZMZJEZHMWQL-UHFFFAOYSA-N |
Product Overview
雌三醇 (CAS 106308-44-5), with molecular formula C27H36O6 and molecular weight 456.25 g/mol. IUPAC: [13-methyl-3,17-di(propanoyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] propanoate.
Chemical Property Profile of 雌三醇
Property Insights of 雌三醇
The XLogP value of 5.1 indicates that 雌三醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 雌三醇. Following Lipinski's Rule of Five, 雌三醇 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 雌三醇?
The CAS number of 雌三醇 is 106308-44-5.
What is the molecular formula of 雌三醇?
The molecular formula of 雌三醇 is C27H36O6.
What is the molecular weight of 雌三醇?
The molecular weight of 雌三醇 is 456.25 g/mol.
Where can I buy 雌三醇?
You can request a quote for 雌三醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 雌三醇?
Yes, KEHONG BIO provides custom synthesis services for 雌三醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.