15,16-Dehydroestrone
TL;DR: 15,16-Dehydroestrone (CAS 3563-25-5) is a chemical compound with molecular formula C18H20O2 and molecular weight 268.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 15,16-Dehydroestrone, Estra-1,3,5(10),15-tetraen-17-one, 3-hydroxy-, 3-hydroxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C18H20O2 |
|---|---|
| Molecular Weight | 268.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.14633 |
| Heavy Atoms | 20 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 3563-25-5 |
|---|---|
| SMILES | CC12CCC3C(C1C=CC2=O)CCC4=C3C=CC(=C4)O |
| InChIKey | CCMDDSSGLUJFMA-UHFFFAOYSA-N |
Product Overview
15,16-Dehydroestrone (CAS 3563-25-5), with molecular formula C18H20O2 and molecular weight 268.15 g/mol. IUPAC: 3-hydroxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 15,16-Dehydroestrone
Property Insights of 15,16-Dehydroestrone
The XLogP value of 3.6 indicates that 15,16-Dehydroestrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 15,16-Dehydroestrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 15,16-Dehydroestrone has 1 hydrogen bond donor(s) and 2 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 15,16-Dehydroestrone?
The CAS number of 15,16-Dehydroestrone is 3563-25-5.
What is the molecular formula of 15,16-Dehydroestrone?
The molecular formula of 15,16-Dehydroestrone is C18H20O2.
What is the molecular weight of 15,16-Dehydroestrone?
The molecular weight of 15,16-Dehydroestrone is 268.15 g/mol.
Where can I buy 15,16-Dehydroestrone?
You can request a quote for 15,16-Dehydroestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15,16-Dehydroestrone?
Yes, KEHONG BIO provides custom synthesis services for 15,16-Dehydroestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.