Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol
TL;DR: Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol (CAS 176219-89-9) is a chemical compound with molecular formula C18H24O6 and molecular weight 336.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13R)-13-methyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-2,3,14,15,16,17-hexol
Also Known As: Estratriene-2,3,14,15,16,17-hexol, Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol, (14xi)-Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol, (8R,9S,13R)-13-methyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-2,3,14,15,16,17-hexol
| Molecular Formula | C18H24O6 |
|---|---|
| Molecular Weight | 336.16 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.1573 |
| Heavy Atoms | 24 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 176219-89-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H](C1(C(C(C2O)O)O)O)CCC4=CC(=C(C=C34)O)O |
| InChIKey | KJNMGEFJTICTAC-QRSKRPCKSA-N |
Product Overview
Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol (CAS 176219-89-9), with molecular formula C18H24O6 and molecular weight 336.16 g/mol. IUPAC: (8R,9S,13R)-13-methyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-2,3,14,15,16,17-hexol.
Chemical Property Profile of Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol
Property Insights of Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol. Following Lipinski's Rule of Five, Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol has 6 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 Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol?
The CAS number of Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol is 176219-89-9.
What is the molecular formula of Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol?
The molecular formula of Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol is C18H24O6.
What is the molecular weight of Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol?
The molecular weight of Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol is 336.16 g/mol.
Where can I buy Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol?
You can request a quote for Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol?
Yes, KEHONG BIO provides custom synthesis services for Estra-1(10),2,4-triene-2,3,14,15,16,17-hexol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.