2-Aminoestra-1,3,5(10)-triene-3,17beta-diol
TL;DR: 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol (CAS 6962-90-9) is a chemical compound with molecular formula C18H25NO2 and molecular weight 287.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-2-amino-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 2-Aminoestradiol, 2-Aminooestradiol, 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol, 2-Amino-1,3,4-trihydroxy-anthrachinon, 2-aminoestra-1,3,5(10)-triene-3,17
| Molecular Formula | C18H25NO2 |
|---|---|
| Molecular Weight | 287.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 287.18854 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 6962-90-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)N)O |
| InChIKey | YGXXBXKYOPKULI-XSSYPUMDSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Aminoestra-1,3,5(10)-triene-3,17beta-diol (CAS 6962-90-9), with molecular formula C18H25NO2 and molecular weight 287.19 g/mol. IUPAC: (8R,9S,13S,14S,17S)-2-amino-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol
Property Insights of 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol
The XLogP value of 3.3 indicates that 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol. Following Lipinski's Rule of Five, 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol has 3 hydrogen bond donor(s) and 3 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 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol?
The CAS number of 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol is 6962-90-9.
What is the molecular formula of 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol?
The molecular formula of 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol is C18H25NO2.
What is the molecular weight of 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol?
The molecular weight of 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol is 287.19 g/mol.
Where can I buy 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol?
You can request a quote for 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Aminoestra-1,3,5(10)-triene-3,17beta-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.