ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE
TL;DR: ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE (CAS 4248-03-7) is a chemical compound with molecular formula C24H30O6 and molecular weight 414.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(17S)-1,3-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Estra-1(10),2,4-triene-1,3,17-triyl triacetate, ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE, 17beta-Estra-1(10),2,4-triene-1,3,17-triyl triacetate, [(17S)-1,3-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
| Molecular Formula | C24H30O6 |
|---|---|
| Molecular Weight | 414.20 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.20422 |
| Heavy Atoms | 30 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 4248-03-7 |
|---|---|
| SMILES | CC(=O)O[C@H]1CCC2C1(CCC3C2CCC4=C3C(=CC(=C4)OC(=O)C)OC(=O)C)C |
| InChIKey | JKQRXDHERZANNJ-GAWOJFTKSA-N |
Product Overview
ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE (CAS 4248-03-7), with molecular formula C24H30O6 and molecular weight 414.20 g/mol. IUPAC: [(17S)-1,3-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE
Property Insights of ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE
The XLogP value of 4.3 indicates that ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE 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 ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE. Following Lipinski's Rule of Five, ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE has 0 hydrogen bond donor(s) and 6 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 ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE?
The CAS number of ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE is 4248-03-7.
What is the molecular formula of ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE?
The molecular formula of ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE is C24H30O6.
What is the molecular weight of ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE?
The molecular weight of ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE is 414.20 g/mol.
Where can I buy ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE?
You can request a quote for ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE?
Yes, KEHONG BIO provides custom synthesis services for ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, TRIACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.