RWJ 54428
TL;DR: RWJ 54428 (CAS 189448-35-9) is a chemical compound with molecular formula C20H20ClN7O5S4 and molecular weight 601.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[[3-(2-aminoethylsulfanylmethyl)-4-pyridinyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: RWJ 54428, MC 02479, MC-02,479, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-5-chloro-4-thiazolyl)(hydroxyimino)acetyl)amino)-3-((3-(((2-aminoethyl)thio)methyl)-4-pyridinyl)thio)-8-oxo-, (6R-(6alpha,7beta(Z)))-, (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[3-(2-aminoethylsulfanylmethyl)pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C20H20ClN7O5S4 |
|---|---|
| Molecular Weight | 601.01 g/mol |
| LogP | 1.6323 |
| Topological Polar Surface Area | 197.12 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 601.0097 |
| Heavy Atoms | 37 |
| Complexity | 1303.6261 |
Chemical Identifiers
| CAS Number | 189448-35-9 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=C(SC(=N3)N)Cl)C(=O)O)SC4=C(C=NC=C4)CSCCN |
Product Overview
RWJ 54428 (CAS 189448-35-9), with molecular formula C20H20ClN7O5S4 and molecular weight 601.01 g/mol. IUPAC: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[[3-(2-aminoethylsulfanylmethyl)-4-pyridinyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of RWJ 54428
Property Insights of RWJ 54428
The XLogP value of 1.6323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RWJ 54428. The TPSA of 197.12 Ų indicates high polarity, suggesting RWJ 54428 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RWJ 54428 has 5 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 RWJ 54428?
The CAS number of RWJ 54428 is 189448-35-9.
What is the molecular formula of RWJ 54428?
The molecular formula of RWJ 54428 is C20H20ClN7O5S4.
What is the molecular weight of RWJ 54428?
The molecular weight of RWJ 54428 is 601.01 g/mol.
Where can I buy RWJ 54428?
You can request a quote for RWJ 54428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RWJ 54428?
Yes, KEHONG BIO provides custom synthesis services for RWJ 54428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.