3-Aminoestratrien-17beta-ol
TL;DR: 3-Aminoestratrien-17beta-ol (CAS 112484-85-2) is a chemical compound with molecular formula C18H25NO and molecular weight 271.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-3-amino-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
Also Known As: 3-Aminoestratrien-17beta-ol, KST-1A0649, 4-BROMOTOLUENE-2,3,5,6-D4, (17, A)-3-aminoestra-1,3,5(10)-trien-17-ol
| Molecular Formula | C18H25NO |
|---|---|
| Molecular Weight | 271.19 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.1936 |
| Heavy Atoms | 20 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 112484-85-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)N |
| InChIKey | ZPGJDCAXHNQWAN-ZBRFXRBCSA-N |
Product Overview
3-Aminoestratrien-17beta-ol (CAS 112484-85-2), with molecular formula C18H25NO and molecular weight 271.19 g/mol. IUPAC: (8R,9S,13S,14S,17S)-3-amino-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of 3-Aminoestratrien-17beta-ol
Property Insights of 3-Aminoestratrien-17beta-ol
The XLogP value of 3.7 indicates that 3-Aminoestratrien-17beta-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, 3-Aminoestratrien-17beta-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Aminoestratrien-17beta-ol has 2 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-Aminoestratrien-17beta-ol?
The CAS number of 3-Aminoestratrien-17beta-ol is 112484-85-2.
What is the molecular formula of 3-Aminoestratrien-17beta-ol?
The molecular formula of 3-Aminoestratrien-17beta-ol is C18H25NO.
What is the molecular weight of 3-Aminoestratrien-17beta-ol?
The molecular weight of 3-Aminoestratrien-17beta-ol is 271.19 g/mol.
Where can I buy 3-Aminoestratrien-17beta-ol?
You can request a quote for 3-Aminoestratrien-17beta-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminoestratrien-17beta-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminoestratrien-17beta-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.