Ro 413399
TL;DR: Ro 413399 (CAS 131841-20-8) is a chemical compound with molecular formula C24H30N8O7S2 and molecular weight 606.1679 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(Z)-2-(2-methylpropoxycarbonyl)pent-2-enyl] (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(azidomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: CEFTRAZONAL BOPENTIL, Ro 413399, Ro 41-3399, Ro-41-3399, (6R-(2(E),6alpha,7beta(Z)))-2-((2-Methylpropoxy)carbonyl)-2-pentenyl 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(azidomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
Technical Specifications
| Molecular Formula | C24H30N8O7S2 |
| Molecular Weight | 606.1679 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 230.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 606.1679 Da |
| Heavy Atoms | 41 |
| Complexity | 1180.0 |
| SMILES | CC/C=C(/COC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N/OC)/C3=CSC(=N3)N)CN=[N+]=[N-])\C(=O)OCC(C)C |
| InChIKey | FHPWLEQQFDSPCU-SVEZEBCVSA-N |
Chemical Property Profile of Ro 413399
Property Insights of Ro 413399
The XLogP value of 4.7 indicates that Ro 413399 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 230.0 Ų indicates high polarity, suggesting Ro 413399 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ro 413399 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ro 413399?
The CAS number of Ro 413399 is 131841-20-8.
What is the molecular formula of Ro 413399?
The molecular formula of Ro 413399 is C24H30N8O7S2.
What is the molecular weight of Ro 413399?
The molecular weight of Ro 413399 is 606.1679 g/mol.
Where can I buy Ro 413399?
You can request a quote for Ro 413399 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ro 413399?
Yes, CoreyChem provides custom synthesis services for Ro 413399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.