EINECS 256-391-5
TL;DR: EINECS 256-391-5 (CAS 49586-46-1) is a chemical compound with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5,8-dioxo-7-[(2-phenylacetyl)amino]-5λ4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: EINECS 256-391-5, 7-Aminodeacetoxycephalosporanic acid, derivative of, 3-methyl-5,8-dioxo-7-[(2-phenylacetyl)amino]-5, [6R-(6alpha,7beta)]-3-methyl-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide, 2-carboxy-3-methyl-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-en-5-ium-5-olate
| Molecular Formula | C16H16N2O5S |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 0.0031 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.078 |
| Heavy Atoms | 24 |
| Complexity | 773.93225 |
Chemical Identifiers
| CAS Number | 49586-46-1 |
|---|---|
| SMILES | CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)S(=O)C1)C(=O)O |
Product Overview
EINECS 256-391-5 (CAS 49586-46-1), with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol. IUPAC: 3-methyl-5,8-dioxo-7-[(2-phenylacetyl)amino]-5λ4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of EINECS 256-391-5
Property Insights of EINECS 256-391-5
The XLogP value of 0.0031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 256-391-5. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 256-391-5. Following Lipinski's Rule of Five, EINECS 256-391-5 has 2 hydrogen bond donor(s) and 4 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 EINECS 256-391-5?
The CAS number of EINECS 256-391-5 is 49586-46-1.
What is the molecular formula of EINECS 256-391-5?
The molecular formula of EINECS 256-391-5 is C16H16N2O5S.
What is the molecular weight of EINECS 256-391-5?
The molecular weight of EINECS 256-391-5 is 348.08 g/mol.
Where can I buy EINECS 256-391-5?
You can request a quote for EINECS 256-391-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 256-391-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 256-391-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.