BL-S 339
TL;DR: BL-S 339 (CAS 40158-24-5) is a chemical compound with molecular formula C21H22N6O4S3 and molecular weight 518.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[2-[(1-amino-2-phenylethylidene)amino]acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Antibiotic BL-S 339, BL-S 339, BL-S-339, (6R-trans)-7-((((1-Imino-2-phenylethyl)amino)acetyl)amino)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-[[2-[(1-amino-2-phenylethylidene)amino]acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C21H22N6O4S3 |
|---|---|
| Molecular Weight | 518.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 518.0865 |
| Heavy Atoms | 34 |
| Complexity | 879.0 |
Chemical Identifiers
| CAS Number | 40158-24-5 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN=C(CC4=CC=CC=C4)N)SC2)C(=O)O |
| InChIKey | FRZDOWDOYKMQSN-UHFFFAOYSA-N |
Product Overview
BL-S 339 (CAS 40158-24-5), with molecular formula C21H22N6O4S3 and molecular weight 518.09 g/mol. IUPAC: 7-[[2-[(1-amino-2-phenylethylidene)amino]acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of BL-S 339
Property Insights of BL-S 339
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BL-S 339. The TPSA of 230.0 Ų indicates high polarity, suggesting BL-S 339 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BL-S 339 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BL-S 339?
The CAS number of BL-S 339 is 40158-24-5.
What is the molecular formula of BL-S 339?
The molecular formula of BL-S 339 is C21H22N6O4S3.
What is the molecular weight of BL-S 339?
The molecular weight of BL-S 339 is 518.09 g/mol.
Where can I buy BL-S 339?
You can request a quote for BL-S 339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BL-S 339?
Yes, KEHONG BIO provides custom synthesis services for BL-S 339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.