17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol
TL;DR: 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol (CAS 80158-12-9) is a chemical compound with molecular formula C19H27NO2 and molecular weight 301.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,16R,17R)-13-methyl-17-(methylamino)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol
Also Known As: Org 7797, 17beta-(Methylamino)estra-1,3,5(10)-triene-3,16alpha-diol, 17beta-methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol, 17 beta-(Methylamino)estra-1(10),2,4-triene-3,16I+/--diol, (16alpha,17beta)-17-Methylaminoestra-1,3,5(10)-triene-3,16-diol
| Molecular Formula | C19H27NO2 |
|---|---|
| Molecular Weight | 301.20 g/mol |
| LogP | 2.8071 |
| Topological Polar Surface Area | 52.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.2042 |
| Heavy Atoms | 22 |
| Complexity | 586.798 |
Chemical Identifiers
| CAS Number | 80158-12-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2NC)O)CCC4=C3C=CC(=C4)O |
Product Overview
17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol (CAS 80158-12-9), with molecular formula C19H27NO2 and molecular weight 301.20 g/mol. IUPAC: (8R,9S,13S,14S,16R,17R)-13-methyl-17-(methylamino)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol.
Chemical Property Profile of 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol
Property Insights of 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol
The XLogP value of 2.8071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol. With a topological polar surface area (TPSA) of 52.49 Ų, 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-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 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol?
The CAS number of 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol is 80158-12-9.
What is the molecular formula of 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol?
The molecular formula of 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol is C19H27NO2.
What is the molecular weight of 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol?
The molecular weight of 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol is 301.20 g/mol.
Where can I buy 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol?
You can request a quote for 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol?
Yes, KEHONG BIO provides custom synthesis services for 17beta-Methylamino-oestra-1,3,5(10)-triene-3,16alpha-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.