Ro 14-9012
TL;DR: Ro 14-9012 (CAS 76225-44-0) is a chemical compound with molecular formula C18H22O3 and molecular weight 286.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,3aS,9aS,9bS)-3a,6-dimethylspiro[1,2,8,9,9a,9b-hexahydrocyclopenta[a]naphthalene-3,5'-oxolane]-2',7-dione
Also Known As: Ro 14 9012, Ro 14-9012, Ro-14-9012, (3R,3aS,9aS,9bS)-3a,6-dimethylspiro[1,2,8,9,9a,9b-hexahydrocyclopenta[a]naphthalene-3,5'-oxolane]-2',7-dione, 5-Oxo-A-tetranor-17-alpha-pregna-9,11-diene-21-17-carbolactone
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.1569 |
| Heavy Atoms | 21 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 76225-44-0 |
|---|---|
| SMILES | CC1=C2C=C[C@]3([C@H]([C@@H]2CCC1=O)CC[C@@]34CCC(=O)O4)C |
| InChIKey | SAZMIOXOXMTFMT-IDCJVQTKSA-N |
Product Overview
Ro 14-9012 (CAS 76225-44-0), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: (3R,3aS,9aS,9bS)-3a,6-dimethylspiro[1,2,8,9,9a,9b-hexahydrocyclopenta[a]naphthalene-3,5'-oxolane]-2',7-dione.
Chemical Property Profile of Ro 14-9012
Property Insights of Ro 14-9012
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 14-9012. With a topological polar surface area (TPSA) of 43.4 Ų, Ro 14-9012 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 14-9012 has 0 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 Ro 14-9012?
The CAS number of Ro 14-9012 is 76225-44-0.
What is the molecular formula of Ro 14-9012?
The molecular formula of Ro 14-9012 is C18H22O3.
What is the molecular weight of Ro 14-9012?
The molecular weight of Ro 14-9012 is 286.16 g/mol.
Where can I buy Ro 14-9012?
You can request a quote for Ro 14-9012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 14-9012?
Yes, KEHONG BIO provides custom synthesis services for Ro 14-9012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.