R1O6MXI51T
TL;DR: R1O6MXI51T (CAS 605-57-2) is a chemical compound with molecular formula C18H24O2 and molecular weight 272.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxybut-3-yn-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3H-phenanthren-2-one
Also Known As: RO-5-2537, 4,4a,4b,5,6,7,8,8a,9,10-Decahydro-7-(1-hydroxy-1-methyl-2-propyn-1-yl)-2(3H)-phenanthrenone, 2(3H)-Phenanthrenone, 4,4a,4b,5,6,7,8,8a,9,10-decahydro-7-(1-hydroxy-1-methyl-2-propyn-1-yl)-, 7-(2-hydroxybut-3-yn-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3H-phenanthren-2-one, 7-(2-hydroxybut-3-yn-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydrophenanthren-2(3H)-one
| Molecular Formula | C18H24O2 |
|---|---|
| Molecular Weight | 272.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.17764 |
| Heavy Atoms | 20 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 605-57-2 |
|---|---|
| SMILES | CC(C#C)(C1CCC2C(C1)CCC3=CC(=O)CCC23)O |
| InChIKey | VSAHVVNEPMRFPK-UHFFFAOYSA-N |
Product Overview
R1O6MXI51T (CAS 605-57-2), with molecular formula C18H24O2 and molecular weight 272.18 g/mol. IUPAC: 7-(2-hydroxybut-3-yn-2-yl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3H-phenanthren-2-one.
Chemical Property Profile of R1O6MXI51T
Property Insights of R1O6MXI51T
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for R1O6MXI51T. With a topological polar surface area (TPSA) of 37.3 Ų, R1O6MXI51T exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, R1O6MXI51T 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 R1O6MXI51T?
The CAS number of R1O6MXI51T is 605-57-2.
What is the molecular formula of R1O6MXI51T?
The molecular formula of R1O6MXI51T is C18H24O2.
What is the molecular weight of R1O6MXI51T?
The molecular weight of R1O6MXI51T is 272.18 g/mol.
Where can I buy R1O6MXI51T?
You can request a quote for R1O6MXI51T directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for R1O6MXI51T?
Yes, KEHONG BIO provides custom synthesis services for R1O6MXI51T and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.