Ro 31-8472
TL;DR: Ro 31-8472 (CAS 144284-57-1) is a chemical compound with molecular formula C20H27N3O6 and molecular weight 405.18997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S,7S)-7-[[(1S)-1-carboxy-3-(4-hydroxyphenyl)propyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
Also Known As: Ro 31-8472, Ro-31-8472, I(125)-Ro 31-8472, 6H-Pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid, 9-((1-carboxy-3-(4-hydroxyphenyl)propyl)amino)octahydro-10-oxo-, (1S-(1alpha,9alpha(R*)))-, (4S,7S)-7-[[(1S)-1-carboxy-3-(4-hydroxyphenyl)propyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
Technical Specifications
| Molecular Formula | C20H27N3O6 |
| Molecular Weight | 405.18997 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.18997 Da |
| Heavy Atoms | 29 |
| Complexity | 607.0 |
| SMILES | C1C[C@@H](C(=O)N2[C@@H](CCCN2C1)C(=O)O)N[C@@H](CCC3=CC=C(C=C3)O)C(=O)O |
| InChIKey | DJJGMVZKUBHPAB-ULQDDVLXSA-N |
Chemical Property Profile of Ro 31-8472
Property Insights of Ro 31-8472
The XLogP value of -2.8 indicates that Ro 31-8472 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 31-8472. Following Lipinski's Rule of Five, Ro 31-8472 has 4 hydrogen bond donor(s) and 8 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 31-8472?
The CAS number of Ro 31-8472 is 144284-57-1.
What is the molecular formula of Ro 31-8472?
The molecular formula of Ro 31-8472 is C20H27N3O6.
What is the molecular weight of Ro 31-8472?
The molecular weight of Ro 31-8472 is 405.18997 g/mol.
Where can I buy Ro 31-8472?
You can request a quote for Ro 31-8472 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ro 31-8472?
Yes, CoreyChem provides custom synthesis services for Ro 31-8472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.