Ro 16-6127
TL;DR: Ro 16-6127 (CAS 136023-17-1) is a chemical compound with molecular formula C19H19ClFN3O3 and molecular weight 391.1099 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 14-chloro-15-fluoro-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
Also Known As: Ro 16-6127, Ro-16-6127, 8-Chloro-7-fluoro-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylic acid tert-butyl ester, tert-butyl 14-chloro-15-fluoro-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate, tert-Butyl 8-chloro-7-fluoro-9-oxo-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate
Technical Specifications
| Molecular Formula | C19H19ClFN3O3 |
| Molecular Weight | 391.1099 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.1099 Da |
| Heavy Atoms | 27 |
| Complexity | 628.0 |
| SMILES | CC(C)(C)OC(=O)C1=C2C3CCCN3C(=O)C4=C(N2C=N1)C=CC(=C4Cl)F |
| InChIKey | CFMUMMDHHQXEOU-UHFFFAOYSA-N |
Chemical Property Profile of Ro 16-6127
Property Insights of Ro 16-6127
The XLogP value of 3.2 indicates that Ro 16-6127 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 16-6127. Following Lipinski's Rule of Five, Ro 16-6127 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ro 16-6127?
The CAS number of Ro 16-6127 is 136023-17-1.
What is the molecular formula of Ro 16-6127?
The molecular formula of Ro 16-6127 is C19H19ClFN3O3.
What is the molecular weight of Ro 16-6127?
The molecular weight of Ro 16-6127 is 391.1099 g/mol.
Where can I buy Ro 16-6127?
You can request a quote for Ro 16-6127 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ro 16-6127?
Yes, CoreyChem provides custom synthesis services for Ro 16-6127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.