Estra-1(10),2,4-triene-3,17-diyl diheptanoate
TL;DR: Estra-1(10),2,4-triene-3,17-diyl diheptanoate (CAS 7732-97-0) is a chemical compound with molecular formula C32H48O4 and molecular weight 496.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-heptanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) heptanoate
Also Known As: ESTRADIOL DIENANTHATE, Estra-1(10),2,4-triene-3,17-diyl diheptanoate, Estra-1,3,5(10)-triene-3,17beta-diol diheptanoate, (3-heptanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) heptanoate, [(8R,9S,13S,14S,17S)-3-heptanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate
| Molecular Formula | C32H48O4 |
|---|---|
| Molecular Weight | 496.36 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 496.35526 |
| Heavy Atoms | 36 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 7732-97-0 |
|---|---|
| SMILES | CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)CCCCCC)C |
| InChIKey | OVAHZPTYWMWNKO-UHFFFAOYSA-N |
Product Overview
Estra-1(10),2,4-triene-3,17-diyl diheptanoate (CAS 7732-97-0), with molecular formula C32H48O4 and molecular weight 496.36 g/mol. IUPAC: (3-heptanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) heptanoate.
Chemical Property Profile of Estra-1(10),2,4-triene-3,17-diyl diheptanoate
Property Insights of Estra-1(10),2,4-triene-3,17-diyl diheptanoate
The XLogP value of 8.3 indicates that Estra-1(10),2,4-triene-3,17-diyl diheptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Estra-1(10),2,4-triene-3,17-diyl diheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1(10),2,4-triene-3,17-diyl diheptanoate has 0 hydrogen bond donor(s) and 4 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-3,17-diyl diheptanoate?
The CAS number of Estra-1(10),2,4-triene-3,17-diyl diheptanoate is 7732-97-0.
What is the molecular formula of Estra-1(10),2,4-triene-3,17-diyl diheptanoate?
The molecular formula of Estra-1(10),2,4-triene-3,17-diyl diheptanoate is C32H48O4.
What is the molecular weight of Estra-1(10),2,4-triene-3,17-diyl diheptanoate?
The molecular weight of Estra-1(10),2,4-triene-3,17-diyl diheptanoate is 496.36 g/mol.
Where can I buy Estra-1(10),2,4-triene-3,17-diyl diheptanoate?
You can request a quote for Estra-1(10),2,4-triene-3,17-diyl diheptanoate 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-3,17-diyl diheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Estra-1(10),2,4-triene-3,17-diyl diheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.