N-Acetylthienamycin
TL;DR: N-Acetylthienamycin (CAS 63701-32-6) is a chemical compound with molecular formula C13H18N2O5S and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,6R)-3-(2-acetamidoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: N-Acetylthienamycin, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethyl)thio)-6-(1-hydroxyethyl)-7-oxo-, (5R-(5-alpha,6-alpha(R*)))-, (5R,6R)-3-(2-acetamidoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, (5R,6R)-6-[(1R)-1-Hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-(1-Hydroxyethyl)-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
| Molecular Formula | C13H18N2O5S |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | -0.2366 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.09363 |
| Heavy Atoms | 21 |
| Complexity | 516.691 |
Chemical Identifiers
| CAS Number | 63701-32-6 |
|---|---|
| SMILES | C[C@H]([C@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)C)O |
Product Overview
N-Acetylthienamycin (CAS 63701-32-6), with molecular formula C13H18N2O5S and molecular weight 314.09 g/mol. IUPAC: (5R,6R)-3-(2-acetamidoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of N-Acetylthienamycin
Property Insights of N-Acetylthienamycin
The XLogP value of -0.2366 indicates that N-Acetylthienamycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.94 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetylthienamycin. Following Lipinski's Rule of Five, N-Acetylthienamycin has 3 hydrogen bond donor(s) and 5 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 N-Acetylthienamycin?
The CAS number of N-Acetylthienamycin is 63701-32-6.
What is the molecular formula of N-Acetylthienamycin?
The molecular formula of N-Acetylthienamycin is C13H18N2O5S.
What is the molecular weight of N-Acetylthienamycin?
The molecular weight of N-Acetylthienamycin is 314.09 g/mol.
Where can I buy N-Acetylthienamycin?
You can request a quote for N-Acetylthienamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetylthienamycin?
Yes, KEHONG BIO provides custom synthesis services for N-Acetylthienamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.