L 652813
TL;DR: L 652813 (CAS 104023-63-4) is a chemical compound with molecular formula C24H21N6NaO5S2 and molecular weight 560.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium (6R,7S)-7-[(1-benzyl-4-pyridinylidene)amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: L 652813, L-652813, Pyridinium, 4-((2-carboxy-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-1-(phenylmethyl)-, hydroxide, inner salt, monosodium salt, (6R-trans)-
| Molecular Formula | C24H21N6NaO5S2 |
|---|---|
| Molecular Weight | 560.09 g/mol |
| LogP | -3.6969 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 560.09125 |
| Heavy Atoms | 38 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 104023-63-4 |
|---|---|
| SMILES | CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@H](C3=O)N=C4C=CN(C=C4)CC5=CC=CC=C5)SC2)C(=O)[O-].[Na+] |
| InChIKey | HXSQWCAKUWKQMD-OTCZLQCGSA-M |
Product Overview
L 652813 (CAS 104023-63-4), with molecular formula C24H21N6NaO5S2 and molecular weight 560.09 g/mol. IUPAC: sodium (6R,7S)-7-[(1-benzyl-4-pyridinylidene)amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of L 652813
Property Insights of L 652813
The XLogP value of -3.6969 indicates that L 652813 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 188.0 Ų indicates high polarity, suggesting L 652813 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L 652813 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L 652813?
The CAS number of L 652813 is 104023-63-4.
What is the molecular formula of L 652813?
The molecular formula of L 652813 is C24H21N6NaO5S2.
What is the molecular weight of L 652813?
The molecular weight of L 652813 is 560.09 g/mol.
Where can I buy L 652813?
You can request a quote for L 652813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L 652813?
Yes, KEHONG BIO provides custom synthesis services for L 652813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.