Jzw7W84ljx
TL;DR: Jzw7W84ljx (CAS 72889-62-4) is a chemical compound with molecular formula C14H13N8NaO5S2 and molecular weight 460.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium (6R,7R)-7-[[(2Z)-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: Ro 40-6890 sodium, Ro-40-6890 sodium, Ro 406890, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(azidomethyl)-8-oxo-, monosodium salt, [6R-[6alpha,7beta(Z)]]-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(azidomethyl)-8-oxo-, monosodium salt, (6R,7R)-
| Molecular Formula | C14H13N8NaO5S2 |
|---|---|
| Molecular Weight | 460.03 g/mol |
| LogP | -4.206 |
| Topological Polar Surface Area | 198.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.0348 |
| Heavy Atoms | 30 |
| Complexity | 988.73096 |
Chemical Identifiers
| CAS Number | 72889-62-4 |
|---|---|
| SMILES | CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CN=[N+]=[N-])C(=O)[O-].[Na+] |
Product Overview
Jzw7W84ljx (CAS 72889-62-4), with molecular formula C14H13N8NaO5S2 and molecular weight 460.03 g/mol. IUPAC: sodium (6R,7R)-7-[[(2Z)-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 Jzw7W84ljx
Property Insights of Jzw7W84ljx
The XLogP value of -4.206 indicates that Jzw7W84ljx is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 198.8 Ų indicates high polarity, suggesting Jzw7W84ljx may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Jzw7W84ljx has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Jzw7W84ljx?
The CAS number of Jzw7W84ljx is 72889-62-4.
What is the molecular formula of Jzw7W84ljx?
The molecular formula of Jzw7W84ljx is C14H13N8NaO5S2.
What is the molecular weight of Jzw7W84ljx?
The molecular weight of Jzw7W84ljx is 460.03 g/mol.
Where can I buy Jzw7W84ljx?
You can request a quote for Jzw7W84ljx directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jzw7W84ljx?
Yes, KEHONG BIO provides custom synthesis services for Jzw7W84ljx and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.