6-Aminoestradiol
TL;DR: 6-Aminoestradiol (CAS 104975-49-7) 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)-6-amino-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 6-Aminoestradiol, KST-1A0457, 6-Aminoestra-1,3,5(10)-triene-3,17beta-diol, (17, A)-6-aminoestra-1,3,5(10)-triene-3,17-diol
| Molecular Formula | C18H25NO2 |
|---|---|
| Molecular Weight | 287.19 g/mol |
| LogP | 2.5 |
| 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 | 104975-49-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(C4=C3C=CC(=C4)O)N |
| InChIKey | NJQNPYWBIWHYJP-YDYZGFHSSA-N |
Product Overview
6-Aminoestradiol (CAS 104975-49-7), with molecular formula C18H25NO2 and molecular weight 287.19 g/mol. IUPAC: (8R,9S,13S,14S,17S)-6-amino-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 6-Aminoestradiol
Property Insights of 6-Aminoestradiol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Aminoestradiol. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Aminoestradiol. Following Lipinski's Rule of Five, 6-Aminoestradiol 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 6-Aminoestradiol?
The CAS number of 6-Aminoestradiol is 104975-49-7.
What is the molecular formula of 6-Aminoestradiol?
The molecular formula of 6-Aminoestradiol is C18H25NO2.
What is the molecular weight of 6-Aminoestradiol?
The molecular weight of 6-Aminoestradiol is 287.19 g/mol.
Where can I buy 6-Aminoestradiol?
You can request a quote for 6-Aminoestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Aminoestradiol?
Yes, KEHONG BIO provides custom synthesis services for 6-Aminoestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.