Hemphac
TL;DR: Hemphac (CAS 140631-65-8) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5R,6E)-6-(2-hydroxyethylidene)-4-methyl-7-oxo-3-(pyridin-2-ylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: Hemphac, 6-(2'-Hydroxyethylidene)-4-methyl-3-(2-(methylthio)pyridinyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylate, (4R,5R,6E)-6-(2-hydroxyethylidene)-4-methyl-7-oxo-3-(pyridin-2-ylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, (4R-(4alpha,5beta,6E))-6-(2-Hydroxyethylidene)-4-methyl-7-oxo-3-((2-pyridinylmethyl)thio)-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(2-Hydroxyethylidene)-4-methyl-7-oxo-3-((2-pyridinylmethyl)thio)-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid (4R-(4alpha,5beta,6E))-
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 1.3902 |
| Topological Polar Surface Area | 90.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 714.05023 |
Chemical Identifiers
| CAS Number | 140631-65-8 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2/C(=C\CO)/C(=O)N2C(=C1SCC3=CC=CC=N3)C(=O)O |
Product Overview
Hemphac (CAS 140631-65-8), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: (4R,5R,6E)-6-(2-hydroxyethylidene)-4-methyl-7-oxo-3-(pyridin-2-ylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of Hemphac
Property Insights of Hemphac
The XLogP value of 1.3902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hemphac. The TPSA of 90.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Hemphac. Following Lipinski's Rule of Five, Hemphac has 2 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 Hemphac?
The CAS number of Hemphac is 140631-65-8.
What is the molecular formula of Hemphac?
The molecular formula of Hemphac is C16H16N2O4S.
What is the molecular weight of Hemphac?
The molecular weight of Hemphac is 332.08 g/mol.
Where can I buy Hemphac?
You can request a quote for Hemphac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hemphac?
Yes, KEHONG BIO provides custom synthesis services for Hemphac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.