BL-S 217
TL;DR: BL-S 217 (CAS 39084-09-8) is a chemical compound with molecular formula C18H19N3O6S2 and molecular weight 437.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(acetyloxymethyl)-7-[[2-(1-methylpyridin-1-ium-4-yl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: BL-S 217, KST-1A4499, 1,4,5,6-Tetrahydro-3-methoxybenzylalkohol, Pyridinium, 4-((2-((3-((acetyloxy)methyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-2-oxoethyl)thio)-1-methyl-, hydroxide, inner salt, (6R-trans)-, (6r,7r)-3-[(acetyloxy)methyl]-7-({[(1-methylpyridinium-4-yl)sulfanyl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
| Molecular Formula | C18H19N3O6S2 |
|---|---|
| Molecular Weight | 437.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.07153 |
| Heavy Atoms | 29 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 39084-09-8 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=[N+](C=C3)C)SC1)C(=O)[O-] |
| InChIKey | MVCWQSBQUMRYDD-RHSMWYFYSA-N |
Product Overview
BL-S 217 (CAS 39084-09-8), with molecular formula C18H19N3O6S2 and molecular weight 437.07 g/mol. IUPAC: (6R,7R)-3-(acetyloxymethyl)-7-[[2-(1-methylpyridin-1-ium-4-yl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of BL-S 217
Property Insights of BL-S 217
The XLogP value of -0.4 indicates that BL-S 217 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting BL-S 217 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BL-S 217 has 1 hydrogen bond donor(s) and 8 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 BL-S 217?
The CAS number of BL-S 217 is 39084-09-8.
What is the molecular formula of BL-S 217?
The molecular formula of BL-S 217 is C18H19N3O6S2.
What is the molecular weight of BL-S 217?
The molecular weight of BL-S 217 is 437.07 g/mol.
Where can I buy BL-S 217?
You can request a quote for BL-S 217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BL-S 217?
Yes, KEHONG BIO provides custom synthesis services for BL-S 217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.