3-Aminodesoxyequilenin
TL;DR: 3-Aminodesoxyequilenin (CAS 5409-94-9) is a chemical compound with molecular formula C18H19NO and molecular weight 265.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13S,14S)-3-amino-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
Also Known As: 3-Aminodesoxyequilenin, D-3-Aminodesoxyequilenin, Estra-1,3,5,7,9-pentaen-17-one, 3-amino-, 3-Aminoestra-1(10),2,4,6,8-pentaen-17-one, (13S,14S)-3-amino-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C18H19NO |
|---|---|
| Molecular Weight | 265.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 265.14667 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 5409-94-9 |
|---|---|
| SMILES | C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)N |
| InChIKey | XORFPBHYHGEHFP-WMZOPIPTSA-N |
Product Overview
3-Aminodesoxyequilenin (CAS 5409-94-9), with molecular formula C18H19NO and molecular weight 265.15 g/mol. IUPAC: (13S,14S)-3-amino-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 3-Aminodesoxyequilenin
Property Insights of 3-Aminodesoxyequilenin
The XLogP value of 3.1 indicates that 3-Aminodesoxyequilenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 3-Aminodesoxyequilenin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Aminodesoxyequilenin 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 3-Aminodesoxyequilenin?
The CAS number of 3-Aminodesoxyequilenin is 5409-94-9.
What is the molecular formula of 3-Aminodesoxyequilenin?
The molecular formula of 3-Aminodesoxyequilenin is C18H19NO.
What is the molecular weight of 3-Aminodesoxyequilenin?
The molecular weight of 3-Aminodesoxyequilenin is 265.15 g/mol.
Where can I buy 3-Aminodesoxyequilenin?
You can request a quote for 3-Aminodesoxyequilenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminodesoxyequilenin?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminodesoxyequilenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.