![(+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester structure](/static/products/113/113141-80-3.png)
(+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester
TL;DR: (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester (CAS 113141-80-3) is a chemical compound with molecular formula C16H16N2O6S and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Also Known As: (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester, (5R,6S)-6-[(R)-1-Hydroxyethyl]-7-oxo-3-(3-pyridinyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (acetyloxymethyl) ester, [(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-(pyridin-3-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carbonyloxy]methyl acetate, acetyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
| Molecular Formula | C16H16N2O6S |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | 0.7261 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.0729 |
| Heavy Atoms | 25 |
| Complexity | 748.25165 |
Chemical Identifiers
| CAS Number | 113141-80-3 |
|---|---|
| SMILES | C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)C3=CN=CC=C3)C(=O)OCOC(=O)C)O |
Product Overview
(+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester (CAS 113141-80-3), with molecular formula C16H16N2O6S and molecular weight 364.07 g/mol. IUPAC: acetyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.
Chemical Property Profile of (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester
Property Insights of (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester
The XLogP value of 0.7261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester. The TPSA of 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester. Following Lipinski's Rule of Five, (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester 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 (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester?
The CAS number of (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester is 113141-80-3.
What is the molecular formula of (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester?
The molecular formula of (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester is C16H16N2O6S.
What is the molecular weight of (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester?
The molecular weight of (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester is 364.07 g/mol.
Where can I buy (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester?
You can request a quote for (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (+)-(5R,6S)-6-[1(R)-Hydroxyethyl]-2-(3-pyridyl)-2-penem-3-carboxylic acid acetoxymethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.