硫霉素
TL;DR: 硫霉素 (CAS 59995-64-1) is a chemical compound with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫霉素
(5R,6R)-3-(2-aminoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: Thienamycin, Epithienamycin, Thienamicin, (5R,6R)-3-(2-aminoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-aminoethyl)thio)-6-(1-hydroxyethyl)-7-oxo-, (5R-(5-alpha,6-alpha(R*)))-
| Molecular Formula | C11H16N2O4S |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.08307 |
| Heavy Atoms | 18 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 59995-64-1 |
|---|---|
| SMILES | C[C@H]([C@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN)O |
| InChIKey | WKDDRNSBRWANNC-JKMUOGBPSA-N |
Product Overview
硫霉素 (CAS 59995-64-1), with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol. IUPAC: (5R,6R)-3-(2-aminoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of 硫霉素
Property Insights of 硫霉素
The XLogP value of -3.0 indicates that 硫霉素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫霉素. Following Lipinski's Rule of Five, 硫霉素 has 3 hydrogen bond donor(s) and 6 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 硫霉素?
The CAS number of 硫霉素 is 59995-64-1.
What is the molecular formula of 硫霉素?
The molecular formula of 硫霉素 is C11H16N2O4S.
What is the molecular weight of 硫霉素?
The molecular weight of 硫霉素 is 272.08 g/mol.
Where can I buy 硫霉素?
You can request a quote for 硫霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫霉素?
Yes, KEHONG BIO provides custom synthesis services for 硫霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.