BB-S 226
TL;DR: BB-S 226 (CAS 56748-54-0) is a chemical compound with molecular formula C21H20N8O4S2 and molecular weight 512.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-oxo-3-(tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: BB-S-226, BB-S 226, BB-S226, KST-1A6099, (6r,7r)-7-({[2-(aminomethyl)phenyl]acetyl}amino)-8-oxo-3-[(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C21H20N8O4S2 |
|---|---|
| Molecular Weight | 512.10 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.1049 |
| Heavy Atoms | 35 |
| Complexity | 891.0 |
Chemical Identifiers
| CAS Number | 56748-54-0 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3CN)C(=O)O)CSC4=NN5C(=NN=N5)C=C4 |
| InChIKey | TYUABEAJISXFLD-YLJYHZDGSA-N |
Product Overview
BB-S 226 (CAS 56748-54-0), with molecular formula C21H20N8O4S2 and molecular weight 512.10 g/mol. IUPAC: (6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-oxo-3-(tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of BB-S 226
Property Insights of BB-S 226
The XLogP value of -2.6 indicates that BB-S 226 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting BB-S 226 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BB-S 226 has 3 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 BB-S 226?
The CAS number of BB-S 226 is 56748-54-0.
What is the molecular formula of BB-S 226?
The molecular formula of BB-S 226 is C21H20N8O4S2.
What is the molecular weight of BB-S 226?
The molecular weight of BB-S 226 is 512.10 g/mol.
Where can I buy BB-S 226?
You can request a quote for BB-S 226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BB-S 226?
Yes, KEHONG BIO provides custom synthesis services for BB-S 226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.