BB-S 150
TL;DR: BB-S 150 (CAS 56893-03-9) is a chemical compound with molecular formula C21H21N5O5S2 and molecular weight 487.10 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-[(6-oxo-1H-pyridazin-3-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: BB-S 150, BB-S-150, KST-1A6119, 7-(o-Aminomethylphenylacetamido)-3-(6-hydroxypyridazin-3-ylthiomethyl)-3-cephem-4-carboxylic acid, (6r,7r)-7-({[2-(aminomethyl)phenyl]acetyl}amino)-8-oxo-3-{[(6-oxo-1,6-dihydropyridazin-3-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C21H21N5O5S2 |
|---|---|
| Molecular Weight | 487.10 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.09842 |
| Heavy Atoms | 33 |
| Complexity | 949.0 |
Chemical Identifiers
| CAS Number | 56893-03-9 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3CN)C(=O)O)CSC4=NNC(=O)C=C4 |
| InChIKey | QZKZPFZWBZGQKC-YLJYHZDGSA-N |
Product Overview
BB-S 150 (CAS 56893-03-9), with molecular formula C21H21N5O5S2 and molecular weight 487.10 g/mol. IUPAC: (6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-oxo-3-[(6-oxo-1H-pyridazin-3-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of BB-S 150
Property Insights of BB-S 150
The XLogP value of -3.1 indicates that BB-S 150 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 205.0 Ų indicates high polarity, suggesting BB-S 150 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BB-S 150 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BB-S 150?
The CAS number of BB-S 150 is 56893-03-9.
What is the molecular formula of BB-S 150?
The molecular formula of BB-S 150 is C21H21N5O5S2.
What is the molecular weight of BB-S 150?
The molecular weight of BB-S 150 is 487.10 g/mol.
Where can I buy BB-S 150?
You can request a quote for BB-S 150 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BB-S 150?
Yes, KEHONG BIO provides custom synthesis services for BB-S 150 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.