Ro 413399
TL;DR: Ro 413399 (CAS 131841-20-8) is a chemical compound with molecular formula C24H30N8O7S2 and molecular weight 606.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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
| Molecular Formula | C24H30N8O7S2 |
|---|---|
| Molecular Weight | 606.17 g/mol |
| LogP | 2.1189 |
| Topological Polar Surface Area | 211.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 606.1679 |
| Heavy Atoms | 41 |
| Complexity | 1332.7439 |
Chemical Identifiers
| CAS Number | 131841-20-8 |
|---|---|
| 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 |
Product Overview
Ro 413399 (CAS 131841-20-8), with molecular formula C24H30N8O7S2 and molecular weight 606.17 g/mol. IUPAC: [(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.
Chemical Property Profile of Ro 413399
Property Insights of Ro 413399
The XLogP value of 2.1189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 413399. The TPSA of 211.27 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 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 606.17 g/mol.
Where can I buy Ro 413399?
You can request a quote for Ro 413399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 413399?
Yes, KEHONG BIO provides custom synthesis services for Ro 413399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.