Sch 33440
TL;DR: Sch 33440 (CAS 85474-80-2) is a chemical compound with molecular formula C11H16N2O4S2 and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,6R)-3-(3-aminopropylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: Sch 33440, KST-1A8589, (5r,6r)-3-[(3-aminopropyl)sulfanyl]-6-[(1r)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, (5R,6R)-3-(3-aminopropylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
| Molecular Formula | C11H16N2O4S2 |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.05515 |
| Heavy Atoms | 19 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 85474-80-2 |
|---|---|
| SMILES | C[C@H]([C@H]1[C@@H]2N(C1=O)C(=C(S2)SCCCN)C(=O)O)O |
| InChIKey | YOAVOLGOENHMIX-HCVRKRLWSA-N |
Product Overview
Sch 33440 (CAS 85474-80-2), with molecular formula C11H16N2O4S2 and molecular weight 304.06 g/mol. IUPAC: (5R,6R)-3-(3-aminopropylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of Sch 33440
Property Insights of Sch 33440
The XLogP value of -2.1 indicates that Sch 33440 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting Sch 33440 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sch 33440 has 3 hydrogen bond donor(s) and 7 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 Sch 33440?
The CAS number of Sch 33440 is 85474-80-2.
What is the molecular formula of Sch 33440?
The molecular formula of Sch 33440 is C11H16N2O4S2.
What is the molecular weight of Sch 33440?
The molecular weight of Sch 33440 is 304.06 g/mol.
Where can I buy Sch 33440?
You can request a quote for Sch 33440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sch 33440?
Yes, KEHONG BIO provides custom synthesis services for Sch 33440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.